Molecule

ID:69233

General Information
Structure
MolImage
Molecular Formula
C₆H₆ClNO
Molecular Mass
143.57094
Exact Mass
143.0137915
Charge
0
InChI
InChI=1S/C6H6ClNO/c7-5-3-4(8)1-2-6(5)9/h1-3,9H,8H2
InChIKey
ZYZQSCWSPFLAFM-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc(c(c1)Cl)O
Isomeric Smiles
c1(c(cc(cc1)N)Cl)O
Calculated Properties
JChem
Acid pKa
8.848832
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
1.3993493
LogD (pH = 7.4)
1.4285775
Log P
1.4447992
Molar Refractivity
37.5441
Polarizability
13.98166
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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