Molecule

ID:135857

General Information
Structure
MolImage
Molecular Formula
C₄H₅ClO₃
Molecular Mass
138.51900968
Exact Mass
137.99943138
Charge
0
InChI
InChI=1S/C4H5ClO3/c1-2-8-4(7)3(5)6/h2H2,1H3/i1+1,2+1
InChIKey
OWZFULPEVHKEKS-ZDOIIHCHSA-N
Canonic Smiles
[13CH3][13CH2]OC(=O)C(=O)Cl
Isomeric Smiles
[13CH3][13CH2]OC(=O)C(=O)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.0056134
LogD (pH = 7.4)
1.0056134
Log P
1.0056134
Molar Refractivity
27.8148
Polarizability
11.030652
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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