Mrv1652306031607412D          

 25 29  0  0  0  0            999 V2000
   -0.6191   -0.2798    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2939   -2.9879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7818   -1.0886    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3252   -2.4426    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1626   -0.0162    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0757   -2.7243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1626   -1.6338    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7818   -0.5614    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2383   -1.9155    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6191   -1.3702    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0021   -0.7478    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3460   -1.4977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4797   -0.0751    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1674   -1.5749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3011   -0.1523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6449   -0.9022    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1827   -0.8431    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7390   -2.0565    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1358    0.6749    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.5112   -2.3249    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.7786    0.5205    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.4663   -0.9794    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.5635   -0.2979    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0201   -1.6519    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8343   -2.8760    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  3  1  2  0  0  0  0
  4  2  2  0  0  0  0
  5  1  1  0  0  0  0
  6  2  1  0  0  0  0
  7  3  1  0  0  0  0
  7  4  1  0  0  0  0
  8  5  2  0  0  0  0
  9  6  2  0  0  0  0
 10  7  2  0  0  0  0
 10  8  1  0  0  0  0
 10  9  1  0  0  0  0
 12 11  2  0  0  0  0
 13 11  1  0  0  0  0
 14 12  1  0  0  0  0
 15 13  2  0  0  0  0
 16 14  2  0  0  0  0
 16 15  1  0  0  0  0
 17 11  1  0  0  0  0
 18 12  1  0  0  0  0
 19 13  1  0  0  0  0
 20 14  1  0  0  0  0
 21 15  1  0  0  0  0
 22 16  1  0  0  0  0
 23  8  1  0  0  0  0
 23 17  2  0  0  0  0
 24  9  1  0  0  0  0
 24 17  1  0  0  0  0
 24 18  1  0  0  0  0
 25 18  2  0  0  0  0
M  END
> <DATABASE_ID>
CHEM010888

> <DATABASE_NAME>
chemdb

> <SMILES>
ClC1=C(Cl)C(Cl)=C(Cl)C2=C1C(=O)N1C2=NC2=CC=CC3=C2C1=CC=C3

> <INCHI_IDENTIFIER>
InChI=1S/C18H6Cl4N2O/c19-13-11-12(14(20)16(22)15(13)21)18(25)24-9-6-2-4-7-3-1-5-8(10(7)9)23-17(11)24/h1-6H

> <INCHI_KEY>
UBZVRROHBDDCQY-UHFFFAOYSA-N

> <FORMULA>
C18H6Cl4N2O

> <MOLECULAR_WEIGHT>
408.06

> <EXACT_MASS>
405.9234236

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_ATOM_COUNT>
31

> <JCHEM_AVERAGE_POLARIZABILITY>
37.99648449498052

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
5,6,7,8-tetrachloro-2,11-diazapentacyclo[10.7.1.0^{2,10}.0^{4,9}.0^{16,20}]icosa-1(19),4(9),5,7,10,12,14,16(20),17-nonaen-3-one

> <ALOGPS_LOGP>
5.60

> <JCHEM_LOGP>
6.0692257666666665

> <ALOGPS_LOGS>
-6.30

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
5

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
-1.8539184854063224

> <JCHEM_POLAR_SURFACE_AREA>
32.67

> <JCHEM_REFRACTIVITY>
102.34609999999998

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
2.04e-04 g/l

> <JCHEM_TRADITIONAL_IUPAC>
5,6,7,8-tetrachloro-2,11-diazapentacyclo[10.7.1.0^{2,10}.0^{4,9}.0^{16,20}]icosa-1(19),4(9),5,7,10,12,14,16(20),17-nonaen-3-one

> <JCHEM_VEBER_RULE>
1

> <NAME>
12H-Phthaloperin-12-one, 8,9,10,11-tetrachloro-

> <CAS>
20749-68-2

> <SYNONYMS>
8,9,10,11-tetrachloro-12H-phthaloperin-12-one

$$$$