Mrv1652304272019072D          

 18 21  0  0  0  0            999 V2000
   -3.0609   -1.4785    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3465   -1.0660    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
   -3.0609    0.1715    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0609    0.9966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3465   -0.2410    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  2  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 12  1  0  0  0  0
 11 13  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>
CDB005892

> <DATABASE_NAME>
CDB

> <SMILES>
CCC1=C2C3=CC=CC=C3C3=CC=CC(C=C1)=C23

> <INCHI_IDENTIFIER>
InChI=1S/C18H14/c1-2-12-10-11-13-6-5-9-16-14-7-3-4-8-15(14)17(12)18(13)16/h3-11H,2H2,1H3

> <INCHI_KEY>
AQRHMUGYCXWAKT-UHFFFAOYSA-N

> <FORMULA>
C18H14

> <MOLECULAR_WEIGHT>
230.31

> <EXACT_MASS>
230.109550451

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_ATOM_COUNT>
32

> <JCHEM_AVERAGE_POLARIZABILITY>
27.22921867971377

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
1-ethylfluoranthene

> <ALOGPS_LOGP>
5.95

> <JCHEM_LOGP>
5.241917535

> <ALOGPS_LOGS>
-7.16

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
4

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_POLAR_SURFACE_AREA>
0.0

> <JCHEM_REFRACTIVITY>
76.3648

> <JCHEM_ROTATABLE_BOND_COUNT>
1

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
1.59e-05 g/l

> <JCHEM_TRADITIONAL_IUPAC>
1-ethylfluoranthene

> <JCHEM_VEBER_RULE>
1

> <Cannabis Database ID>
CDB005892

> <GENERIC_NAME>
1-Ethylfluoranthene

$$$$