Molecule

ID:75787

General Information
Structure
MolImage
Molecular Formula
C₆H₆ClNO
Molecular Mass
143.57094
Exact Mass
143.0137915
Charge
0
InChI
InChI=1S/C6H6ClNO/c7-5-2-1-4(8)3-6(5)9/h1-3,9H,8H2
InChIKey
JSCNCRWPXOTDDZ-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc(c(c1)O)Cl
Isomeric Smiles
Clc1ccc(cc1O)N
Calculated Properties
JChem
Acid pKa
8.175719
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
1.4419446
LogD (pH = 7.4)
1.377952
Log P
1.4447992
Molar Refractivity
37.5441
Polarizability
13.970271
Polar Surface Area
46.25
Rotatable Bonds
0
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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