Molecule

ID:66544

General Information
Structure
MolImage
Molecular Formula
C₆H₅ClO₂
Molecular Mass
144.5557
Exact Mass
143.99780708
Charge
0
InChI
InChI=1S/C6H5ClO2/c7-6-4(8)2-1-3-5(6)9/h1-3,8-9H
InChIKey
SWZVJOLLQTWFCW-UHFFFAOYSA-N
Canonic Smiles
Oc1cccc(c1Cl)O
Isomeric Smiles
Oc1c(c(O)ccc1)Cl
Calculated Properties
JChem
Acid pKa
7.8167405
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
1.9680849
LogD (pH = 7.4)
1.8283191
Log P
1.9701599
Molar Refractivity
34.8246
Polarizability
13.491718
Polar Surface Area
40.46
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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