Molecule

ID:70100

General Information
Structure
Molecular Formula
C₇H₅ClO₂
Molecular Mass
156.5664
Exact Mass
155.99780708
Charge
0
InChI
InChI=1S/C7H5ClO2/c8-6-1-2-7(10)5(3-6)4-9/h1-4,10H
InChIKey
FUGKCSRLAQKUHG-UHFFFAOYSA-N
Canonic Smiles
O=Cc1cc(Cl)ccc1O
Isomeric Smiles
C(=O)c1c(ccc(c1)Cl)O
Calculated Properties
JChem
Acid pKa
7.8609376
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.634354
LogD (pH = 7.4)
2.5083015
Log P
2.6362276
Molar Refractivity
39.4277
Polarizability
14.7344475
Polar Surface Area
37.3
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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