Molecule

ID:135690

General Information
Structure
MolImage
Molecular Formula
C₇H₅ClO₂
Molecular Mass
162.52232903
Exact Mass
162.01793611
Charge
0
InChI
InChI=1S/C7H5ClO2/c8-6-4-2-1-3-5(6)7(9)10/h1-4H,(H,9,10)/i1+1,2+1,3+1,4+1,5+1,6+1
InChIKey
IKCLCGXPQILATA-IDEBNGHGSA-N
Canonic Smiles
OC(=O)[13c]1[13cH][13cH][13cH][13cH][13c]1Cl
Isomeric Smiles
[13cH]1[13cH][13cH][13c]([13c]([13cH]1)C(=O)O)Cl
Calculated Properties
JChem
Acid pKa
3.068039
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.1653113
LogD (pH = 7.4)
-1.2310627
Log P
2.2348733
Molar Refractivity
38.119
Polarizability
14.592231
Polar Surface Area
37.3
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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