Mrv0541 02231219002D          

 21 25  0  0  0  0            999 V2000
    7.1247   -5.1396    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9543   -5.9693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9543   -5.1396    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1248   -5.9693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5237   -4.8670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3533   -4.8670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3533   -5.6967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5238   -5.6967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8521   -4.7722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6259   -6.0641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0220   -6.3334    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7115   -4.4456    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.7717   -6.3334    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    8.9403   -5.5489    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.9760   -4.3149    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.5102   -4.2658    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.8483   -4.1106    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.4151   -5.0095    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.6685   -5.3691    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.6685   -6.2108    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.6194   -5.8022    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  4  1  1  0  0  0  0
  4  2  1  0  0  0  0
  6  3  1  0  0  0  0
  8  4  1  0  0  0  0
  8  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  1  3  1  0  0  0  0
  8  7  1  0  0  0  0
  3  2  1  0  0  0  0
  9  1  1  0  0  0  0
  9  5  1  0  0  0  0
 10  7  1  0  0  0  0
 10  2  1  0  0  0  0
 11 10  1  0  0  0  0
 12  6  1  0  0  0  0
 13  2  1  0  0  0  0
 14  7  1  0  0  0  0
 15  3  1  0  0  0  0
 16  5  1  0  0  0  0
 17  9  1  0  0  0  0
 18  9  1  0  0  0  0
 19  1  1  0  0  0  0
 20  4  1  0  0  0  0
 21  8  1  0  0  0  0
M  END
> <DATABASE_ID>
BMDB0001219

> <DATABASE_NAME>
bmdb

> <SMILES>
OC1C2(Cl)C3(Cl)C4(Cl)C1(Cl)C1(Cl)C2(Cl)C3(Cl)C(Cl)(Cl)C41Cl

> <INCHI_IDENTIFIER>
InChI=1S/C10H2Cl10O/c11-2-1(21)3(12)6(15)4(2,13)8(17)5(2,14)7(3,16)9(6,18)10(8,19)20/h1,21H

> <INCHI_KEY>
MBEIHNKADVMCJM-UHFFFAOYSA-N

> <FORMULA>
C10H2Cl10O

> <MOLECULAR_WEIGHT>
492.652

> <EXACT_MASS>
487.699091756

> <JCHEM_ACCEPTOR_COUNT>
1

> <JCHEM_AVERAGE_POLARIZABILITY>
36.385284813471316

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
1,2,3,4,6,7,8,9,10,10-decachloropentacyclo[5.3.0.0²,⁶.0³,⁹.0⁴,⁸]decan-5-ol

> <ALOGPS_LOGP>
5.84

> <JCHEM_LOGP>
5.435267383

> <ALOGPS_LOGS>
-5.67

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
5

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
12.688071259988213

> <JCHEM_PKA_STRONGEST_BASIC>
-3.8100376308811557

> <JCHEM_POLAR_SURFACE_AREA>
20.23

> <JCHEM_REFRACTIVITY>
83.8163

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
1.05e-03 g/l

> <JCHEM_TRADITIONAL_IUPAC>
kepol

> <JCHEM_VEBER_RULE>
1

> <BMDB_ID>
BMDB0001219

> <GENERIC_NAME>
Chlordecone alcohol

> <SYNONYMS>
Chlordecone alcohol; Kepol; Reduced kepone

$$$$