Mrv1652304272019302D          

 22 27  0  0  0  0            999 V2000
    0.8250    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4125   -0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7744   -0.8685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4125    0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8607   -0.0480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0207   -1.2040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4125   -0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0625    2.1434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8875    2.1434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8250    1.4290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1070    1.2574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1478   -0.6579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4125    0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1932    0.4369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3533   -0.7191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6500    1.4290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3000    1.4290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8250    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6500    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4396    0.1014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0625    0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8875    0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  4  1  0  0  0  0
  2  7  1  0  0  0  0
  3  5  2  0  0  0  0
  3  6  1  0  0  0  0
  4 13  2  0  0  0  0
  5 14  1  0  0  0  0
  6 15  2  0  0  0  0
  7 18  2  0  0  0  0
  8  9  2  0  0  0  0
  8 16  1  0  0  0  0
  9 17  1  0  0  0  0
 10 13  1  0  0  0  0
 10 16  2  0  0  0  0
 11 14  1  0  0  0  0
 11 17  2  0  0  0  0
 12 15  1  0  0  0  0
 12 19  2  0  0  0  0
 13 18  1  0  0  0  0
 14 20  2  0  0  0  0
 15 20  1  0  0  0  0
 16 21  1  0  0  0  0
 17 22  1  0  0  0  0
 18 19  1  0  0  0  0
 19 21  1  0  0  0  0
 20 22  1  0  0  0  0
 21 22  2  0  0  0  0
M  END
> <DATABASE_ID>
CDB006112

> <DATABASE_NAME>
CDB

> <SMILES>
C1=C2C=CC3=CC4=CC=CC=C4C4=CC5=CC=CC1=C5C2=C34

> <INCHI_IDENTIFIER>
InChI=1S/C22H12/c1-2-7-18-13(4-1)10-16-8-9-17-11-14-5-3-6-15-12-19(18)21(16)22(17)20(14)15/h1-12H

> <INCHI_KEY>
XXDHLNOLHOLOTF-UHFFFAOYSA-N

> <FORMULA>
C22H12

> <MOLECULAR_WEIGHT>
276.338

> <EXACT_MASS>
276.093900386

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_ATOM_COUNT>
34

> <JCHEM_AVERAGE_POLARIZABILITY>
31.99672627873141

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
hexacyclo[16.3.1.0^{2,7}.0^{9,21}.0^{12,20}.0^{14,19}]docosa-1(22),2,4,6,8,10,12,14(19),15,17,20-undecaene

> <ALOGPS_LOGP>
6.16

> <JCHEM_LOGP>
5.378139740333333

> <ALOGPS_LOGS>
-7.79

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
6

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_POLAR_SURFACE_AREA>
0.0

> <JCHEM_REFRACTIVITY>
93.44299999999997

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
4.53e-06 g/l

> <JCHEM_TRADITIONAL_IUPAC>
hexacyclo[16.3.1.0^{2,7}.0^{9,21}.0^{12,20}.0^{14,19}]docosa-1(22),2,4,6,8,10,12,14(19),15,17,20-undecaene

> <JCHEM_VEBER_RULE>
1

> <Cannabis Database ID>
CDB006112

> <GENERIC_NAME>
phenanthro[10,1,2,3-c d e f] fluorene

$$$$