Mrv1652303202019012D          

 33 32  0  0  0  0            999 V2000
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   32.8519  -10.7171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.1374  -11.1296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.4230  -10.7171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.7085  -11.1296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.9940  -10.7171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   28.5651  -10.7171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   27.1362  -10.7171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.4217  -11.1296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.7072  -10.7171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   17.8480  -11.1296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.2809  -10.7171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   38.5677  -10.7171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   39.9966  -10.7171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   40.7111  -11.1296    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
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 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
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 25 26  1  0  0  0  0
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 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
M  END
> <DATABASE_ID>
FDB001484

> <DATABASE_NAME>
foodb

> <SMILES>
CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC

> <INCHI_IDENTIFIER>
InChI=1S/C33H68/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-33H2,1-2H3

> <INCHI_KEY>
SUJUOAZFECLBOA-UHFFFAOYSA-N

> <FORMULA>
C33H68

> <MOLECULAR_WEIGHT>
464.893

> <EXACT_MASS>
464.532102176

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_ATOM_COUNT>
101

> <JCHEM_AVERAGE_POLARIZABILITY>
69.88610309626301

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
tritriacontane

> <ALOGPS_LOGP>
11.10

> <JCHEM_LOGP>
15.134491847666668

> <ALOGPS_LOGS>
-8.01

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_POLAR_SURFACE_AREA>
0.0

> <JCHEM_REFRACTIVITY>
153.6352

> <JCHEM_ROTATABLE_BOND_COUNT>
30

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
4.54e-06 g/l

> <JCHEM_TRADITIONAL_IUPAC>
tritriacontane

> <JCHEM_VEBER_RULE>
0

> <FOODB_ID>
FDB001484

> <GENERIC_NAME>
Tritriacontane

$$$$