Molecule

ID:41652

General Information
Structure
MolImage
Molecular Formula
C₆H₆ClNO
Molecular Mass
143.57094
Exact Mass
143.0137915
Charge
0
InChI
InChI=1S/C6H6ClNO/c7-6-2-1-5(4-9)3-8-6/h1-3,9H,4H2
InChIKey
GOXYBEXWMJZLJB-UHFFFAOYSA-N
Canonic Smiles
OCc1ccc(nc1)Cl
Isomeric Smiles
n1c(Cl)ccc(c1)CO
Calculated Properties
JChem
Acid pKa
14.655383
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.8124385
LogD (pH = 7.4)
0.81244534
Log P
0.81244546
Molar Refractivity
36.5831
Polarizability
13.844704
Polar Surface Area
33.12
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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