Molecule

ID:67170

General Information
Structure
MolImage
Molecular Formula
C₇H₅ClO₂
Molecular Mass
156.5664
Exact Mass
155.99780708
Charge
0
InChI
InChI=1S/C7H5ClO2/c8-7-3-6(10)2-1-5(7)4-9/h1-4,10H
InChIKey
ZMOMCILMBYEGLD-UHFFFAOYSA-N
Canonic Smiles
O=Cc1ccc(cc1Cl)O
Isomeric Smiles
C(=O)c1c(cc(cc1)O)Cl
Calculated Properties
JChem
Acid pKa
6.6938124
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.9594781
LogD (pH = 7.4)
1.2170963
Log P
1.9862275
Molar Refractivity
39.4277
Polarizability
14.754214
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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