Molecule

ID:104174

General Information
Structure
MolImage
Molecular Formula
C₂H₃ClO₂
Molecular Mass
94.49702
Exact Mass
93.98215702
Charge
0
InChI
InChI=1S/C2H3ClO2/c3-1-2(4)5/h1H2,(H,4,5)
InChIKey
FOCAUTSVDIKZOP-UHFFFAOYSA-N
Canonic Smiles
OC(=O)CCl
Isomeric Smiles
OC(=O)CCl
Calculated Properties
JChem
Acid pKa
3.05571
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.0975466
LogD (pH = 7.4)
-3.1535952
Log P
0.3139981
Molar Refractivity
17.3969
Polarizability
6.995691
Polar Surface Area
37.3
Rotatable Bonds
1
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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