Molecule

ID:80722

General Information
Structure
MolImage
Molecular Formula
C₇H₆ClNO
Molecular Mass
155.58164
Exact Mass
155.0137915
Charge
0
InChI
InChI=1S/C7H6ClNO/c8-6-1-3-7(4-2-6)9-5-10/h1-5H,(H,9,10)
InChIKey
LMLFHXMNNHGRRO-UHFFFAOYSA-N
Canonic Smiles
O=CNc1ccc(cc1)Cl
Isomeric Smiles
Clc1ccc(cc1)NC=O
Calculated Properties
JChem
Acid pKa
15.174983
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
1.7663021
LogD (pH = 7.4)
1.7663021
Log P
1.7663021
Molar Refractivity
41.2353
Polarizability
15.248224
Polar Surface Area
29.1
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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