Mrv0541 09211104272D          

 32 36  0  0  0  0            999 V2000
    0.1714    3.9722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9964    3.9722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4089    3.2577    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9964    2.5432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4089    1.8288    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9964    1.1143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1714    1.1143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2411    1.8288    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1714    2.5432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2411    3.2577    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1286    0.2571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8411   -0.1554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8411   -0.9804    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1286   -1.3929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5839   -0.9804    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3018   -1.3929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0143   -0.9804    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0143   -0.1554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3018    0.2571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5839   -0.1554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2411    4.6867    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4089    4.6867    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2339    3.2577    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2339    1.8288    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0661    1.8288    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0661    3.2577    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5558    0.2567    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5558   -1.3925    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1286   -2.2179    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3031   -2.2179    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7290   -1.3925    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7290    0.2567    0.0000 H   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  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  4  9  1  0  0  0  0
  9 10  2  0  0  0  0
  1 10  1  0  0  0  0
  7 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
  6 19  1  0  0  0  0
 19 20  1  0  0  0  0
 11 20  2  0  0  0  0
 15 20  1  0  0  0  0
  1 21  1  0  0  0  0
  2 22  1  0  0  0  0
  3 23  1  0  0  0  0
  5 24  1  0  0  0  0
  8 25  1  0  0  0  0
 10 26  1  0  0  0  0
 12 27  1  0  0  0  0
 13 28  1  0  0  0  0
 14 29  1  0  0  0  0
 16 30  1  0  0  0  0
 17 31  1  0  0  0  0
 18 32  1  0  0  0  0
M  END
> <DATABASE_NAME>
t3db

> <DATABASE_ID>
T3D0062

> <SMILES>
C1=CC=C2C=C3C(=CC2=C1)C1=CC=CC2=CC=CC3=C12

> <INCHI_IDENTIFIER>
InChI=1S/C20H12/c1-2-6-15-12-19-17-10-4-8-13-7-3-9-16(20(13)17)18(19)11-14(15)5-1/h1-12H

> <INCHI_KEY>
InChIKey=HAXBIWFMXWRORI-UHFFFAOYSA-N

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_AVERAGE_POLARIZABILITY>
29.585483492650447

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_EXACT_MASS>
252.093900384

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_FORMULA>
C20H12

> <JCHEM_IUPAC>
pentacyclo[10.7.1.0^{2,11}.0^{4,9}.0^{16,20}]icosa-1(20),2,4,6,8,10,12,14,16,18-decaene

> <JCHEM_LOGP>
5.273404237333333

> <JCHEM_MASS>
252.3093

> <JCHEM_POLAR_SURFACE_AREA>
0

> <JCHEM_REFRACTIVITY>
83.1728

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_TRADITIONAL_IUPAC>
benzo(k)fluoranthene

$$$$