Molecule

ID:77950

General Information
Structure
Molecular Formula
C₅H₇ClO₂
Molecular Mass
134.56088
Exact Mass
134.01345714
Charge
0
InChI
InChI=1S/C5H7ClO2/c6-5(7)4-1-2-8-3-4/h4H,1-3H2
InChIKey
RVMFDSHMPBPWRK-UHFFFAOYSA-N
Canonic Smiles
ClC(=O)C1COCC1
Isomeric Smiles
O1CCC(C1)C(=O)Cl
Calculated Properties
JChem
Acid pKa
17.803246
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
0.4423285
LogD (pH = 7.4)
0.4423285
Log P
0.4423285
Molar Refractivity
30.4979
Polarizability
11.948303
Polar Surface Area
26.3
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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