Mrv1572004201615492D          

 20 24  0  0  0  0            999 V2000
    4.7730    1.4396    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2053    0.8410    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6532    1.6534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5385    2.2305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2594    0.9284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2223    2.3569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    1.0334    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5017    3.2139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6995    3.4063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1013    0.2798    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8634    0.5957    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3295    3.0001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7362    2.4229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5654    0.9070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6024    2.3355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1317    2.8077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1685    1.8244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7985    1.4182    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9962    1.6106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3662    2.0168    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  4  1  1  0  0  0  0
  5  3  2  0  0  0  0
  6  3  1  0  0  0  0
  7  2  1  0  0  0  0
  9  8  2  0  0  0  0
 11 10  2  0  0  0  0
 13  4  2  0  0  0  0
 13  8  1  0  0  0  0
 14  5  1  0  0  0  0
 14 10  1  0  0  0  0
 15  6  2  0  0  0  0
 15 12  1  0  0  0  0
 16  9  1  0  0  0  0
 16 12  2  0  0  0  0
 17  7  2  0  0  0  0
 17 13  1  0  0  0  0
 18 11  1  0  0  0  0
 19 14  2  0  0  0  0
 19 15  1  0  0  0  0
 19 18  1  0  0  0  0
 20 16  1  0  0  0  0
 20 17  1  0  0  0  0
 20 18  2  0  0  0  0
M  END
> <DATABASE_ID>
CHEM016054

> <DATABASE_NAME>
chemdb

> <SMILES>
C1=CC2=C3C(C=CC4=CC=CC=C34)=CC3=CC=CC1=C23

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

> <INCHI_KEY>
ICRHCNSZHYPRNZ-UHFFFAOYSA-N

> <FORMULA>
C20H12

> <MOLECULAR_WEIGHT>
252.316

> <EXACT_MASS>
252.093900386

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_ATOM_COUNT>
32

> <JCHEM_AVERAGE_POLARIZABILITY>
29.21577290236359

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
pentacyclo[11.6.1.0²,¹¹.0³,⁸.0¹⁷,²⁰]icosa-1,3,5,7,9,11,13,15,17(20),18-decaene

> <ALOGPS_LOGP>
6.06

> <JCHEM_LOGP>
5.308271305333333

> <ALOGPS_LOGS>
-8.06

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
5

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_POLAR_SURFACE_AREA>
0.0

> <JCHEM_REFRACTIVITY>
84.80539999999998

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
2.17e-06 g/l

> <JCHEM_TRADITIONAL_IUPAC>
pentacyclo[11.6.1.0²,¹¹.0³,⁸.0¹⁷,²⁰]icosa-1,3,5,7,9,11,13,15,17(20),18-decaene

> <JCHEM_VEBER_RULE>
1

> <NAME>
Benz[<i>l</i>]aceanthrylene

> <CAS>
211-91-6

$$$$