Molecule

ID:68705

General Information
Structure
MolImage
Molecular Formula
C₆H₆ClNO
Molecular Mass
143.57094
Exact Mass
143.0137915
Charge
0
InChI
InChI=1S/C6H6ClNO/c7-4-1-2-5(8)6(9)3-4/h1-3,9H,8H2
InChIKey
FZCQMIRJCGWWCL-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(c(c1)O)N
Isomeric Smiles
c1(c(ccc(c1)Cl)N)O
Calculated Properties
JChem
Acid pKa
9.537481
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
1.4396311
LogD (pH = 7.4)
1.4415588
Log P
1.4447992
Molar Refractivity
37.5441
Polarizability
13.95514
Polar Surface Area
46.25
Rotatable Bonds
0
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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