Mrv1572004201615502D          

 16 19  0  0  0  0            999 V2000
    3.8394    2.0055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7951    1.1817    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5983    1.9287    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1481    2.4558    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4703    1.1137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0436    2.4470    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0595    0.8082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5940    0.0463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4179    0.0884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7213    2.5326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2994    0.8169    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4125    2.0823    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8134    2.1503    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3682    1.2585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6326    0.8849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9413    1.3352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  4  1  2  0  0  0  0
  5  3  2  0  0  0  0
  6  3  1  0  0  0  0
  7  2  2  0  0  0  0
  9  8  1  0  0  0  0
 11  5  1  0  0  0  0
 11  8  1  0  0  0  0
 12  4  1  0  0  0  0
 12 10  2  0  0  0  0
 13  6  2  0  0  0  0
 13 10  1  0  0  0  0
 14  7  1  0  0  0  0
 14 12  1  0  0  0  0
 15  9  1  0  0  0  0
 15 14  2  0  0  0  0
 16 11  2  0  0  0  0
 16 13  1  0  0  0  0
 16 15  1  0  0  0  0
M  END
> <DATABASE_ID>
CHEM016085

> <DATABASE_NAME>
chemdb

> <SMILES>
C1CC2=C3C=CC=CC3=CC3=CC=CC1=C23

> <INCHI_IDENTIFIER>
InChI=1S/C16H12/c1-2-7-14-12(4-1)10-13-6-3-5-11-8-9-15(14)16(11)13/h1-7,10H,8-9H2

> <INCHI_KEY>
XTAHYROJKCXMOF-UHFFFAOYSA-N

> <FORMULA>
C16H12

> <MOLECULAR_WEIGHT>
204.272

> <EXACT_MASS>
204.093900386

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_ATOM_COUNT>
28

> <JCHEM_AVERAGE_POLARIZABILITY>
23.843532609451405

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
1,2-dihydroaceanthrylene

> <ALOGPS_LOGP>
5.20

> <JCHEM_LOGP>
4.515316205333333

> <ALOGPS_LOGS>
-6.80

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
4

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_POLAR_SURFACE_AREA>
0.0

> <JCHEM_REFRACTIVITY>
67.2386

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
3.24e-05 g/l

> <JCHEM_TRADITIONAL_IUPAC>
1,2-dihydroaceanthrylene

> <JCHEM_VEBER_RULE>
1

> <NAME>
Dihydroaceanthrylene

> <CAS>
641-48-5

$$$$