Mrv0541 02241221262D          

 15 17  0  0  0  0            999 V2000
    2.5584    2.9142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8244    2.1332    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6227    1.9251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6715    1.1015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9033    0.8007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3798    1.4383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5592    1.3527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9807    1.9409    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0798    2.7599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7819    3.1930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7606    1.1458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0530    1.0092    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6107    0.3345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6951    0.0024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1465    3.4927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  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
  2  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
  1 10  1  0  0  0  0
  8 11  1  0  0  0  0
  7 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
  5 14  1  0  0  0  0
  1 15  1  0  0  0  0
M  END
> <DATABASE_ID>
FDB007059

> <DATABASE_NAME>
foodb

> <SMILES>
CC1CCC2=C(C)CCC3C(C12)C3(C)C

> <INCHI_IDENTIFIER>
InChI=1S/C15H24/c1-9-6-8-12-14(15(12,3)4)13-10(2)5-7-11(9)13/h10,12-14H,5-8H2,1-4H3

> <INCHI_KEY>
WGTRJVCFDUCKCM-UHFFFAOYSA-N

> <FORMULA>
C15H24

> <MOLECULAR_WEIGHT>
204.3511

> <EXACT_MASS>
204.187800768

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_AVERAGE_POLARIZABILITY>
26.083466786317445

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
1,1,4,7-tetramethyl-1H,1aH,2H,3H,5H,6H,7H,7aH,7bH-cyclopropa[e]azulene

> <ALOGPS_LOGP>
3.39

> <JCHEM_LOGP>
4.044472338

> <ALOGPS_LOGS>
-4.24

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_POLAR_SURFACE_AREA>
0

> <JCHEM_REFRACTIVITY>
65.5013

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.18e-02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
1,1,4,7-tetramethyl-1aH,2H,3H,5H,6H,7H,7aH,7bH-cyclopropa[e]azulene

> <JCHEM_VEBER_RULE>
1

> <FOODB_ID>
FDB007059

> <GENERIC_NAME>
Viridiflorene

$$$$