Molecule

ID:56607

General Information
Structure
MolImage
Molecular Formula
C₁₆H₇Cl₄NO
Molecular Mass
371.04488
Exact Mass
368.92817457
Charge
0
InChI
InChI=1S/C16H7Cl4NO/c17-8-4-5-10(13(19)6-8)14-7-11(16(20)22)9-2-1-3-12(18)15(9)21-14/h1-7H
InChIKey
KLVZZSPAFBMLQR-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(c(c1)Cl)c1cc(C(=O)Cl)c2c(n1)c(Cl)ccc2
Isomeric Smiles
n1c(c2c(cc(cc2)Cl)Cl)cc(c2c1c(Cl)ccc2)C(=O)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
6.1670227
LogD (pH = 7.4)
6.1670227
Log P
6.1670227
Molar Refractivity
90.2726
Polarizability
37.278046
Polar Surface Area
29.96
Rotatable Bonds
2
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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