Molecule

ID:56288

General Information
Structure
MolImage
Molecular Formula
C₁₆H₉Cl₂NO
Molecular Mass
302.15476
Exact Mass
301.00611927
Charge
0
InChI
InChI=1S/C16H9Cl2NO/c17-13-7-3-1-6-11(13)15-9-12(16(18)20)10-5-2-4-8-14(10)19-15/h1-9H
InChIKey
ZLWMDSNCWWZOLQ-UHFFFAOYSA-N
Canonic Smiles
Clc1ccccc1c1nc2ccccc2c(c1)C(=O)Cl
Isomeric Smiles
c1(nc2c(c(c1)C(=O)Cl)cccc2)c1c(Cl)cccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
4.9589295
LogD (pH = 7.4)
4.9589334
Log P
4.9589334
Molar Refractivity
80.663
Polarizability
33.534134
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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