Molecule

ID:89656

General Information
Structure
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Molecular Formula
C₅H₇ClO₃
Molecular Mass
150.56028
Exact Mass
150.00837176
Charge
0
InChI
InChI=1S/C5H7ClO3/c1-2-9-5(8)3-4(6)7/h2-3H2,1H3
InChIKey
KWFADUNOPOSMIJ-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)CC(=O)Cl
Isomeric Smiles
O(CC)C(=O)CC(=O)Cl
Calculated Properties
JChem
Acid pKa
8.094882
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
0.70381266
LogD (pH = 7.4)
0.6251065
Log P
0.7049144
Molar Refractivity
32.364
Polarizability
12.818835
Polar Surface Area
43.37
Rotatable Bonds
4
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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