Mrv0541 05061306092D          

 16 18  0  0  0  0            999 V2000
   -0.4097    1.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6486    4.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0028    0.8147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0028    2.2437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9341    4.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3631    4.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8278    0.8147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8278    2.2437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9341    3.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3631    3.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6486    0.9458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2320    1.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2403    1.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6486    2.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0653    1.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6486    2.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  3  1  2  0  0  0  0
  4  1  1  0  0  0  0
  5  2  2  0  0  0  0
  6  2  1  0  0  0  0
  7  3  1  0  0  0  0
  8  4  2  0  0  0  0
  9  5  1  0  0  0  0
 10  6  2  0  0  0  0
 12 11  1  0  0  0  0
 13  7  2  0  0  0  0
 13  8  1  0  0  0  0
 14  9  2  0  0  0  0
 14 10  1  0  0  0  0
 15 11  1  0  0  0  0
 15 13  1  0  0  0  0
 16 12  1  0  0  0  0
 16 14  1  0  0  0  0
 16 15  1  0  0  0  0
M  END
> <DATABASE_ID>
FDB008499

> <DATABASE_NAME>
foodb

> <SMILES>
C1CC(C1C1=CC=CC=C1)C1=CC=CC=C1

> <INCHI_IDENTIFIER>
InChI=1S/C16H16/c1-3-7-13(8-4-1)15-11-12-16(15)14-9-5-2-6-10-14/h1-10,15-16H,11-12H2

> <INCHI_KEY>
AERGGMDNGDDGPI-UHFFFAOYSA-N

> <FORMULA>
C16H16

> <MOLECULAR_WEIGHT>
208.2982

> <EXACT_MASS>
208.125200512

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_AVERAGE_POLARIZABILITY>
25.06082052207465

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
(2-phenylcyclobutyl)benzene

> <ALOGPS_LOGP>
5.20

> <JCHEM_LOGP>
4.619920798

> <ALOGPS_LOGS>
-6.05

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_POLAR_SURFACE_AREA>
0

> <JCHEM_REFRACTIVITY>
67.6912

> <JCHEM_ROTATABLE_BOND_COUNT>
2

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.88e-04 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(2-phenylcyclobutyl)benzene

> <JCHEM_VEBER_RULE>
1

> <FOODB_ID>
FDB008499

> <GENERIC_NAME>
1,2-Diphenylcyclobutane

$$$$