Molecule
ID:85260
General Information
Molecular Formula
C₁₁H₄Cl₆O₂
Molecular Mass
380.86626
Exact Mass
377.83424545
Charge
0
InChI
InChI=1S/C11H4Cl6O2/c12-7-8(13)10(15)6-4(19)2-1-3(18)5(6)9(7,14)11(10,16)17/h1-2,18-19H
InChIKey
HGWPFZAIXJHLBN-UHFFFAOYSA-N
Canonic Smiles
Oc1ccc(c2c1C1(Cl)C(=C(C2(C1(Cl)Cl)Cl)Cl)Cl)O
Isomeric Smiles
ClC12C(C(c3c1c(ccc3O)O)(Cl)C(=C2Cl)Cl)(Cl)Cl
Calculated Properties
JChem
Acid pKa
9.069673
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
4.7327437
LogD (pH = 7.4)
4.723718
Log P
4.73286
Molar Refractivity
79.1912
Polarizability
30.488602
Polar Surface Area
40.46
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
No Data Available
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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