Molecule

ID:56606

General Information
Structure
MolImage
Molecular Formula
C₁₇H₉Cl₄NO
Molecular Mass
385.07146
Exact Mass
382.94382463
Charge
0
InChI
InChI=1S/C17H9Cl4NO/c1-8-13(19)5-3-10-11(17(21)23)7-15(22-16(8)10)12-6-9(18)2-4-14(12)20/h2-7H,1H3
InChIKey
ANHBKJMQVHQUIR-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(c(c1)c1cc(C(=O)Cl)c2c(n1)c(C)c(cc2)Cl)Cl
Isomeric Smiles
c12nc(c3c(ccc(c3)Cl)Cl)cc(c1ccc(c2C)Cl)C(=O)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
6.6804442
LogD (pH = 7.4)
6.6804442
Log P
6.6804442
Molar Refractivity
95.3138
Polarizability
39.01393
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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