Molecule

ID:75221

General Information
Structure
MolImage
Molecular Formula
C₇H₆ClNO
Molecular Mass
155.58164
Exact Mass
155.0137915
Charge
0
InChI
InChI=1S/C7H6ClNO/c8-7-4-2-1-3-6(7)5-9-10/h1-5,10H
InChIKey
FZIVKDWRLLMSEJ-UHFFFAOYSA-N
Canonic Smiles
O/N=C/c1ccccc1Cl
Isomeric Smiles
Clc1ccccc1/C=N/O
Calculated Properties
JChem
Acid pKa
7.754461
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.2968342
LogD (pH = 7.4)
2.1410775
Log P
2.2992725
Molar Refractivity
41.2685
Polarizability
15.463862
Polar Surface Area
32.59
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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