Mrv1652304272019072D          

 18 21  0  0  0  0            999 V2000
   -3.8146   -0.1731    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3856   -0.9981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4125   -0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5457    2.6330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2994    2.2974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4125    0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4125   -0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8783    2.1480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1001    1.0644    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1001    0.2394    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3856   -0.1731    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3856    1.4769    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4125    0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8250    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9645    1.3276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6320    0.1715    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7182    0.9920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  1  0  0  0  0
  2 12  1  0  0  0  0
  3  4  2  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  6  2  0  0  0  0
  5  9  1  0  0  0  0
  6 13  1  0  0  0  0
  7 14  2  0  0  0  0
  8 15  2  0  0  0  0
  9 16  2  0  0  0  0
 10 11  2  0  0  0  0
 10 13  1  0  0  0  0
 11 12  1  0  0  0  0
 12 17  2  0  0  0  0
 13 18  2  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
 17 18  1  0  0  0  0
M  END
> <DATABASE_ID>
CDB005895

> <DATABASE_NAME>
CDB

> <SMILES>
CC1=CC2=C3C(=CC=C2)C2=CC=CC=C2C3=C1C

> <INCHI_IDENTIFIER>
InChI=1S/C18H14/c1-11-10-13-6-5-9-16-14-7-3-4-8-15(14)17(12(11)2)18(13)16/h3-10H,1-2H3

> <INCHI_KEY>
DNTPBDAFBNGCQS-UHFFFAOYSA-N

> <FORMULA>
C18H14

> <MOLECULAR_WEIGHT>
230.31

> <EXACT_MASS>
230.109550451

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_ATOM_COUNT>
32

> <JCHEM_AVERAGE_POLARIZABILITY>
27.484312741690204

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
1,2-dimethylfluoranthene

> <ALOGPS_LOGP>
5.81

> <JCHEM_LOGP>
5.310770259333333

> <ALOGPS_LOGS>
-6.66

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
4

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_POLAR_SURFACE_AREA>
0.0

> <JCHEM_REFRACTIVITY>
76.80499999999999

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
5.02e-05 g/l

> <JCHEM_TRADITIONAL_IUPAC>
1,2-dimethylfluoranthene

> <JCHEM_VEBER_RULE>
1

> <Cannabis Database ID>
CDB005895

> <GENERIC_NAME>
Dimethylfluoranthene

$$$$