Molecule
ID:53972
General Information
Molecular Formula
C₄H₅ClO₃
Molecular Mass
136.5337
Exact Mass
135.9927217
Charge
0
InChI
InChI=1S/C4H5ClO3/c1-8-4(7)3(5)2-6/h2-3H,1H3
InChIKey
LXSUVYGZODASAI-UHFFFAOYSA-N
Canonic Smiles
COC(=O)C(C=O)Cl
Isomeric Smiles
C(=O)C(C(=O)OC)Cl
Calculated Properties
JChem
Acid pKa
7.54161
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
0.29166907
LogD (pH = 7.4)
0.05989777
Log P
0.29559392
Molar Refractivity
27.2207
Polarizability
10.99329
Polar Surface Area
43.37
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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