Mrv1652303202019012D          

 35 34  0  0  0  0            999 V2000
   34.8039  -11.8440    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.0894  -11.4315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.3749  -11.8440    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.6605  -11.4315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.9460  -11.8440    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.2315  -11.4315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.5171  -11.8440    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.8026  -11.4315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.0881  -11.8440    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.3737  -11.4315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.6592  -11.8440    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.9447  -11.4315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.2302  -11.8440    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.5158  -11.4315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.8013  -11.8440    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.0868  -11.4315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.3724  -11.8440    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.6579  -11.4315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.9434  -11.8440    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.2289  -11.4315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5145  -11.8440    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.8000  -11.4315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.0855  -11.8440    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.5184  -11.4315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.2328  -11.8440    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.9473  -11.4315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   37.6618  -11.8440    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   38.3762  -11.4315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   39.0907  -11.8440    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   39.8052  -11.4315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   40.5197  -11.8440    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   41.2341  -11.4315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   41.9486  -11.8440    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   42.6631  -11.4315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   43.3775  -11.8440    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
  1 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
M  END
> <DATABASE_ID>
FDB006490

> <DATABASE_NAME>
foodb

> <SMILES>
CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC

> <INCHI_IDENTIFIER>
InChI=1S/C35H72/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-35H2,1-2H3

> <INCHI_KEY>
VHQQPFLOGSTQPC-UHFFFAOYSA-N

> <FORMULA>
C35H72

> <MOLECULAR_WEIGHT>
492.9462

> <EXACT_MASS>
492.563402304

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_ATOM_COUNT>
107

> <JCHEM_AVERAGE_POLARIZABILITY>
74.21581769630217

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
pentatriacontane

> <ALOGPS_LOGP>
11.19

> <JCHEM_LOGP>
16.023629177666667

> <ALOGPS_LOGS>
-8.02

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_POLAR_SURFACE_AREA>
0.0

> <JCHEM_REFRACTIVITY>
162.8372

> <JCHEM_ROTATABLE_BOND_COUNT>
32

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
4.76e-06 g/l

> <JCHEM_TRADITIONAL_IUPAC>
N-pentatriacontane

> <JCHEM_VEBER_RULE>
0

> <FOODB_ID>
FDB006490

> <GENERIC_NAME>
Pentatriacontane

$$$$