Mrv0541 09211104262D          

 32 36  0  0  0  0            999 V2000
    6.0197   -0.9809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7497   -0.2014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9395   -0.0454    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3994   -0.6691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6695   -1.4486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4796   -1.6046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1294   -2.0723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3193   -1.9164    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7792   -2.5400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9690   -2.3841    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6990   -1.6046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8889   -1.4486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6188   -0.6691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1589   -0.0454    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9690   -0.2014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5091    0.4223    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3193    0.2664    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5893   -0.5132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0492   -1.1368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2391   -0.9809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8298   -1.1368    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2898    0.4222    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6695    0.7342    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7496   -2.3842    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3995   -2.8518    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0492   -3.3196    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -3.0077    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3488   -2.0722    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1913   -0.5132    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8889    0.7342    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2390    1.2018    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8594    0.8900    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
  1  6  1  0  0  0  0
  5  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 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
  4 18  1  0  0  0  0
 18 19  2  0  0  0  0
  8 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
  6 24  1  0  0  0  0
  7 25  1  0  0  0  0
  9 26  1  0  0  0  0
 10 27  1  0  0  0  0
 12 28  1  0  0  0  0
 13 29  1  0  0  0  0
 14 30  1  0  0  0  0
 16 31  1  0  0  0  0
 17 32  1  0  0  0  0
M  END
> <DATABASE_NAME>
t3db

> <DATABASE_ID>
T3D0009

> <SMILES>
C1=CC=C2C(=C1)C=C1C=CC3=C4C(C=CC2=C14)=CC=C3

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

> <INCHI_KEY>
InChIKey=FMMWHPNWAFZXNH-UHFFFAOYSA-N

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_AVERAGE_POLARIZABILITY>
29.09336845692154

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_EXACT_MASS>
252.093900384

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_FORMULA>
C20H12

> <JCHEM_IUPAC>
pentacyclo[10.6.2.0^{2,7}.0^{9,19}.0^{16,20}]icosa-1(19),2,4,6,8,10,12(20),13,15,17-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>
pentacyclo[10.6.2.0^{2,7}.0^{9,19}.0^{16,20}]icosa-1(19),2,4,6,8,10,12,14,16(20),17-decaene

$$$$