Molecule

ID:57147

General Information
Structure
MolImage
Molecular Formula
C₇H₅ClO₂
Molecular Mass
156.5664
Exact Mass
155.99780708
Charge
0
InChI
InChI=1S/C7H5ClO2/c8-7(9)4-3-6-2-1-5-10-6/h1-5H/b4-3+
InChIKey
IMRILMSKMWAKCC-ONEGZZNKSA-N
Canonic Smiles
ClC(=O)/C=C/c1ccco1
Isomeric Smiles
c1(/C=C/C(=O)Cl)ccco1
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.7296625
LogD (pH = 7.4)
1.7296625
Log P
1.7296625
Molar Refractivity
39.3093
Polarizability
14.537074
Polar Surface Area
30.21
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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