Molecule

ID:110900

General Information
Structure
MolImage
Molecular Formula
C₃H₅ClO₂
Molecular Mass
108.5236
Exact Mass
107.99780708
Charge
0
InChI
InChI=1S/C3H5ClO2/c1-6-3(5)2-4/h2H2,1H3
InChIKey
QABLOFMHHSOFRJ-UHFFFAOYSA-N
Canonic Smiles
COC(=O)CCl
Isomeric Smiles
COC(=O)CCl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
0.45989215
LogD (pH = 7.4)
0.45989215
Log P
0.45989215
Molar Refractivity
22.166
Polarizability
8.998972
Polar Surface Area
26.3
Rotatable Bonds
2
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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