Molecule

ID:80731

General Information
Structure
MolImage
Molecular Formula
C₅H₇ClO₄
Molecular Mass
166.55968
Exact Mass
166.00328638
Charge
0
InChI
InChI=1S/C5H7ClO4/c1-9-4(7)3(6)5(8)10-2/h3H,1-2H3
InChIKey
LNBQBURECUEBKZ-UHFFFAOYSA-N
Canonic Smiles
COC(=O)C(C(=O)OC)Cl
Isomeric Smiles
O=C(C(C(=O)OC)Cl)OC
Calculated Properties
JChem
Acid pKa
10.546756
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
0.60010034
LogD (pH = 7.4)
0.59979486
Log P
0.6001042
Molar Refractivity
32.9152
Polarizability
13.572967
Polar Surface Area
52.6
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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