Molecule

ID:34888

General Information
Structure
MolImage
Molecular Formula
C₅H₇ClO₃
Molecular Mass
150.56028
Exact Mass
150.00837176
Charge
0
InChI
InChI=1S/C5H7ClO3/c1-9-5(8)3-2-4(6)7/h2-3H2,1H3
InChIKey
SRXOJMOGPYFZKC-UHFFFAOYSA-N
Canonic Smiles
COC(=O)CCC(=O)Cl
Isomeric Smiles
C(=O)(Cl)CCC(=O)OC
Calculated Properties
JChem
Acid pKa
17.067024
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
0.28074074
LogD (pH = 7.4)
0.28074074
Log P
0.28074074
Molar Refractivity
32.1646
Polarizability
12.818032
Polar Surface Area
43.37
Rotatable Bonds
4
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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