Molecule

ID:84521

General Information
Structure
MolImage
Molecular Formula
C₆H₅ClN₂O
Molecular Mass
156.5697
Exact Mass
156.00904047
Charge
0
InChI
InChI=1S/C6H5ClN2O/c7-5-2-1-4(3-9-5)6(8)10/h1-3H,(H2,8,10)
InChIKey
ZIJAZUBWHAZHPL-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(cn1)C(=O)N
Isomeric Smiles
n1cc(ccc1Cl)C(=O)N
Calculated Properties
JChem
Acid pKa
13.315423
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.43043476
LogD (pH = 7.4)
0.430436
Log P
0.43043554
Molar Refractivity
38.8456
Polarizability
14.274225
Polar Surface Area
55.98
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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