Molecule

ID:92317

General Information
Structure
MolImage
Molecular Formula
C₄H₅ClO₃
Molecular Mass
136.5337
Exact Mass
135.9927217
Charge
0
InChI
InChI=1S/C4H5ClO3/c1-8-4(7)2-3(5)6/h2H2,1H3
InChIKey
UTBCRHAMJFMIIR-UHFFFAOYSA-N
Canonic Smiles
COC(=O)CC(=O)Cl
Isomeric Smiles
O(C(=O)CC(=O)Cl)C
Calculated Properties
JChem
Acid pKa
8.279275
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
0.34738556
LogD (pH = 7.4)
0.29427987
Log P
0.34810644
Molar Refractivity
27.6154
Polarizability
11.0220785
Polar Surface Area
43.37
Rotatable Bonds
3
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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