Molecule

ID:56352

General Information
Structure
Molecular Formula
C₁₇H₁₁Cl₂NO
Molecular Mass
316.18134
Exact Mass
315.02176934
Charge
0
InChI
InChI=1S/C17H11Cl2NO/c1-10-15(17(19)21)13-7-2-3-8-14(13)20-16(10)11-5-4-6-12(18)9-11/h2-9H,1H3
InChIKey
NVWVGFLTFZVJCG-UHFFFAOYSA-N
Canonic Smiles
Clc1cccc(c1)c1nc2ccccc2c(c1C)C(=O)Cl
Isomeric Smiles
n1c(c(c(c2c1cccc2)C(=O)Cl)C)c1cc(Cl)ccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
5.4723454
LogD (pH = 7.4)
5.472355
Log P
5.472355
Molar Refractivity
85.7042
Polarizability
35.285183
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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