Mrv1652304272019072D          

 19 22  0  0  0  0            999 V2000
   -4.5291    0.2394    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
   -3.8146   -0.1731    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
   -2.3856   -0.1731    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    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  3  1  0  0  0  0
  2 12  1  0  0  0  0
  3 13  1  0  0  0  0
  4  5  2  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  6  7  2  0  0  0  0
  6 10  1  0  0  0  0
  7 14  1  0  0  0  0
  8 15  2  0  0  0  0
  9 16  2  0  0  0  0
 10 17  2  0  0  0  0
 11 13  2  0  0  0  0
 11 14  1  0  0  0  0
 12 13  1  0  0  0  0
 12 18  2  0  0  0  0
 14 19  2  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
 17 19  1  0  0  0  0
 18 19  1  0  0  0  0
M  END
> <DATABASE_ID>
CDB005900

> <DATABASE_NAME>
CDB

> <SMILES>
CCC1=CC2=C3C(=CC=C2)C2=CC=CC=C2C3=C1C

> <INCHI_IDENTIFIER>
InChI=1S/C19H16/c1-3-13-11-14-7-6-10-17-15-8-4-5-9-16(15)18(12(13)2)19(14)17/h4-11H,3H2,1-2H3

> <INCHI_KEY>
OVPRAMBSBAZQGC-UHFFFAOYSA-N

> <FORMULA>
C19H16

> <MOLECULAR_WEIGHT>
244.337

> <EXACT_MASS>
244.125200515

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_ATOM_COUNT>
35

> <JCHEM_AVERAGE_POLARIZABILITY>
29.489888294360572

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
2-ethyl-1-methylfluoranthene

> <ALOGPS_LOGP>
6.30

> <JCHEM_LOGP>
5.7553389243333335

> <ALOGPS_LOGS>
-7.14

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
4

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_POLAR_SURFACE_AREA>
0.0

> <JCHEM_REFRACTIVITY>
81.40599999999999

> <JCHEM_ROTATABLE_BOND_COUNT>
1

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
1.76e-05 g/l

> <JCHEM_TRADITIONAL_IUPAC>
2-ethyl-1-methylfluoranthene

> <JCHEM_VEBER_RULE>
1

> <Cannabis Database ID>
CDB005900

> <GENERIC_NAME>
Ethylmethylfluoranthene

$$$$