Molecule

ID:90254

General Information
Structure
MolImage
Molecular Formula
C₆H₅ClO₂
Molecular Mass
144.5557
Exact Mass
143.99780708
Charge
0
InChI
InChI=1S/C6H5ClO2/c1-4-2-3-9-5(4)6(7)8/h2-3H,1H3
InChIKey
DFXNZMRXFMWEGQ-UHFFFAOYSA-N
Canonic Smiles
ClC(=O)c1occc1C
Isomeric Smiles
o1ccc(c1C(=O)Cl)C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.7378263
LogD (pH = 7.4)
1.7378263
Log P
1.7378263
Molar Refractivity
34.6048
Polarizability
12.815984
Polar Surface Area
30.21
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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