Mrv1572004221603402D          

 18 20  0  0  0  0            999 V2000
    1.9549    1.2101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0277    0.2414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4947    1.1121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4864    0.2871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7108    1.3447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6973    0.0099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2133    1.5174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1967   -0.1325    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9988    0.6945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2565    1.5547    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.2742   -0.1396    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.1835    2.3965    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.1501   -1.0130    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.5716    0.9479    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.5898    0.1516    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.0326    2.1625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0017   -0.8161    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1889    0.6724    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  4  3  2  0  0  0  0
  5  1  1  0  0  0  0
  6  2  1  0  0  0  0
  7  1  1  0  0  0  0
  7  3  1  0  0  0  0
  8  2  1  0  0  0  0
  8  4  1  0  0  0  0
  9  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  3  1  0  0  0  0
 11  4  1  0  0  0  0
 12  7  1  0  0  0  0
 13  8  1  0  0  0  0
 14  9  1  0  0  0  0
 15  9  1  0  0  0  0
 16  5  2  0  0  0  0
 17  6  2  0  0  0  0
 18  5  1  0  0  0  0
 18  6  1  0  0  0  0
M  END
> <DATABASE_ID>
CHEM009459

> <DATABASE_NAME>
chemdb

> <SMILES>
ClC1=C(Cl)C2(Cl)C3C(C(=O)OC3=O)C1(Cl)C2(Cl)Cl

> <INCHI_IDENTIFIER>
InChI=1S/C9H2Cl6O3/c10-3-4(11)8(13)2-1(5(16)18-6(2)17)7(3,12)9(8,14)15/h1-2H

> <INCHI_KEY>
FLBJFXNAEMSXGL-UHFFFAOYSA-N

> <FORMULA>
C9H2Cl6O3

> <MOLECULAR_WEIGHT>
370.81

> <EXACT_MASS>
367.8135101

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_ATOM_COUNT>
20

> <JCHEM_AVERAGE_POLARIZABILITY>
27.418213579728548

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
1,7,8,9,10,10-hexachloro-4-oxatricyclo[5.2.1.0²,⁶]dec-8-ene-3,5-dione

> <ALOGPS_LOGP>
4.50

> <JCHEM_LOGP>
3.161563627333333

> <ALOGPS_LOGS>
-5.21

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
13.998971147828016

> <JCHEM_PKA_STRONGEST_BASIC>
-7.058554805088455

> <JCHEM_POLAR_SURFACE_AREA>
43.370000000000005

> <JCHEM_REFRACTIVITY>
68.56959999999998

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
2.31e-03 g/l

> <JCHEM_TRADITIONAL_IUPAC>
chlorendic anhydride

> <JCHEM_VEBER_RULE>
0

> <NAME>
Chlorendic anhydride

> <CAS>
115-27-5

> <SYNONYMS>
1,4,5,6,7,7-hexachloro-8,9,10-trinorborn-5-ene-2,3-dicarboxylic anhydride

$$$$