Molecule

ID:58568

General Information
Structure
MolImage
Molecular Formula
C₁₂H₈ClNO
Molecular Mass
217.65102
Exact Mass
217.02944156
Charge
0
InChI
InChI=1S/C12H8ClNO/c13-10-5-3-4-9(8-10)12(15)11-6-1-2-7-14-11/h1-8H
InChIKey
DTEIFMBOVCPJGY-UHFFFAOYSA-N
Canonic Smiles
Clc1cccc(c1)C(=O)c1ccccn1
Isomeric Smiles
c1cccc(n1)C(=O)c1cccc(c1)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.2044392
LogD (pH = 7.4)
3.2048166
Log P
3.2048213
Molar Refractivity
58.9094
Polarizability
22.94404
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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