Molecule

ID:89263

General Information
Structure
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Molecular Formula
C₅H₇ClO₂
Molecular Mass
134.56088
Exact Mass
134.01345714
Charge
0
InChI
InChI=1S/C5H7ClO2/c1-3(7)5(6)4(2)8/h5H,1-2H3
InChIKey
VLRGXXKFHVJQOL-UHFFFAOYSA-N
Canonic Smiles
ClC(C(=O)C)C(=O)C
Isomeric Smiles
O=C(C(C(=O)C)Cl)C
Calculated Properties
JChem
Acid pKa
6.664788
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
0.93884945
LogD (pH = 7.4)
0.16107799
Log P
0.96756715
Molar Refractivity
30.4792
Polarizability
12.017281
Polar Surface Area
34.14
Rotatable Bonds
2
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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