Molecule

ID:56539

General Information
Structure
Molecular Formula
C₁₇H₁₁Cl₂NO
Molecular Mass
316.18134
Exact Mass
315.02176934
Charge
0
InChI
InChI=1S/C17H11Cl2NO/c1-10-5-2-3-6-11(10)15-9-13(17(19)21)12-7-4-8-14(18)16(12)20-15/h2-9H,1H3
InChIKey
CVSWKJIUGVPIFA-UHFFFAOYSA-N
Canonic Smiles
Cc1ccccc1c1cc(C(=O)Cl)c2c(n1)c(Cl)ccc2
Isomeric Smiles
n1c(cc(c2c1c(Cl)ccc2)C(=O)Cl)c1c(C)cccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
5.4723544
LogD (pH = 7.4)
5.472355
Log P
5.472355
Molar Refractivity
85.7042
Polarizability
35.311745
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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