Molecule

ID:92298

General Information
Structure
MolImage
Molecular Formula
C₇H₅ClO₂
Molecular Mass
156.5664
Exact Mass
155.99780708
Charge
0
InChI
InChI=1S/C7H5ClO2/c8-7(9)10-6-4-2-1-3-5-6/h1-5H
InChIKey
AHWALFGBDFAJAI-UHFFFAOYSA-N
Canonic Smiles
ClC(=O)Oc1ccccc1
Isomeric Smiles
O(c1ccccc1)C(=O)Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.5872335
LogD (pH = 7.4)
2.5872335
Log P
2.5872335
Molar Refractivity
37.9034
Polarizability
14.823205
Polar Surface Area
26.3
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
Click here to submit data
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
References
Bioactivity
Navigation