Molecule

ID:18231

General Information
Structure
MolImage
Molecular Formula
C₆H₅ClO₂
Molecular Mass
144.5557
Exact Mass
143.99780708
Charge
0
InChI
InChI=1S/C6H5ClO2/c1-4-2-3-5(9-4)6(7)8/h2-3H,1H3
InChIKey
ZURUVZFDEVKNCE-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc(o1)C(=O)Cl
Isomeric Smiles
c1(oc(cc1)C)C(=O)Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.4239663
LogD (pH = 7.4)
1.4239663
Log P
1.4239663
Molar Refractivity
34.7133
Polarizability
12.817552
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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