Molecule

ID:58563

General Information
Structure
MolImage
Molecular Formula
C₁₂H₈ClNO
Molecular Mass
217.65102
Exact Mass
217.02944156
Charge
0
InChI
InChI=1S/C12H8ClNO/c13-11-3-1-2-10(8-11)12(15)9-4-6-14-7-5-9/h1-8H
InChIKey
JPQDGWGFDQVTFH-UHFFFAOYSA-N
Canonic Smiles
Clc1cccc(c1)C(=O)c1ccncc1
Isomeric Smiles
c1nccc(c1)C(=O)c1cccc(c1)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.8171663
LogD (pH = 7.4)
2.8189483
Log P
2.8189712
Molar Refractivity
59.2814
Polarizability
22.940382
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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