Mrv1572004191602102D          

 18 22  0  0  0  0            999 V2000
    0.7097   -0.4209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7193   -1.2458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4193   -0.0001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4482   -2.4749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3059   -2.4415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1675   -2.8790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5963   -2.8623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8417   -0.7851    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3490   -0.1234    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8481    0.0166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4386   -1.6499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2963   -1.6166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8771   -2.4582    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1385   -0.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5674   -0.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1482   -1.2291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5770   -1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8674   -1.6332    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  6  4  2  0  0  0  0
  7  5  2  0  0  0  0
  9  8  2  0  0  0  0
 11  2  1  0  0  0  0
 11  4  1  0  0  0  0
 12  5  1  0  0  0  0
 12  8  1  0  0  0  0
 13  6  1  0  0  0  0
 13  7  1  0  0  0  0
 14  3  2  0  0  0  0
 14 10  1  0  0  0  0
 15  9  1  0  0  0  0
 15 10  2  0  0  0  0
 16 11  2  0  0  0  0
 16 14  1  0  0  0  0
 17 12  2  0  0  0  0
 17 15  1  0  0  0  0
 18 13  2  0  0  0  0
 18 16  1  0  0  0  0
 18 17  1  0  0  0  0
M  END
> <DATABASE_ID>
CHEM007953

> <DATABASE_NAME>
chemdb

> <SMILES>
C1=CC2=C3C1=CC1=CC=CC4=C1C3=C(C=C2)C=C4

> <INCHI_IDENTIFIER>
InChI=1S/C18H10/c1-2-11-4-6-13-7-5-12-8-9-15-10-14(3-1)16(11)18(13)17(12)15/h1-10H

> <INCHI_KEY>
BZCXQYVNASLLQO-UHFFFAOYSA-N

> <FORMULA>
C18H10

> <MOLECULAR_WEIGHT>
226.278

> <EXACT_MASS>
226.078250322

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_ATOM_COUNT>
28

> <JCHEM_AVERAGE_POLARIZABILITY>
25.624105071978732

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
pentacyclo[12.3.1.0⁴,¹⁷.0⁷,¹⁶.0¹⁰,¹⁵]octadeca-1(18),2,4(17),5,7(16),8,10(15),11,13-nonaene

> <ALOGPS_LOGP>
5.55

> <JCHEM_LOGP>
4.6505227

> <ALOGPS_LOGS>
-7.35

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
5

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_POLAR_SURFACE_AREA>
0.0

> <JCHEM_REFRACTIVITY>
76.11939999999998

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.01e-05 g/l

> <JCHEM_TRADITIONAL_IUPAC>
pentacyclo[12.3.1.0⁴,¹⁷.0⁷,¹⁶.0¹⁰,¹⁵]octadeca-1(18),2,4(17),5,7(16),8,10(15),11,13-nonaene

> <JCHEM_VEBER_RULE>
1

> <NAME>
Cyclopenta(cd)pyrene

> <CAS>
27208-37-3

> <SYNONYMS>
Cyclopenta[<i>cd</i>]pyrene; Cyclopenta[cd]pyrene

$$$$