Molecule

ID:56496

General Information
Structure
MolImage
Molecular Formula
C₁₆H₉Cl₂NO
Molecular Mass
302.15476
Exact Mass
301.00611927
Charge
0
InChI
InChI=1S/C16H9Cl2NO/c17-11-6-7-14-12(8-11)13(16(18)20)9-15(19-14)10-4-2-1-3-5-10/h1-9H
InChIKey
FKYJVJZXDKGVDO-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc2c(c1)c(cc(n2)c1ccccc1)C(=O)Cl
Isomeric Smiles
c1(c2c(nc(c1)c1ccccc1)ccc(c2)Cl)C(=O)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
4.95893
LogD (pH = 7.4)
4.9589334
Log P
4.9589334
Molar Refractivity
80.663
Polarizability
33.519245
Polar Surface Area
29.96
Rotatable Bonds
2
Lipinski's Rule of Five
true
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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