Molecule
ID:84093
General Information
Molecular Formula
C₁₄H₆Cl₄O₃
Molecular Mass
364.00764
Exact Mass
361.90710477
Charge
0
InChI
InChI=1S/C14H6Cl4O3/c15-9-3-8(6-19)13(12(18)5-9)21-14(20)7-1-2-10(16)11(17)4-7/h1-6H
InChIKey
BNASMZRLKTWWGT-UHFFFAOYSA-N
Canonic Smiles
O=Cc1cc(Cl)cc(c1OC(=O)c1ccc(c(c1)Cl)Cl)Cl
Isomeric Smiles
O(c1c(cc(cc1Cl)Cl)C=O)C(=O)c1cc(c(cc1)Cl)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
5.7633624
LogD (pH = 7.4)
5.7633624
Log P
5.7633624
Molar Refractivity
83.6641
Polarizability
32.108723
Polar Surface Area
43.37
Rotatable Bonds
4
Lipinski's Rule of Five
false
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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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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