Molecule

ID:89581

General Information
Structure
MolImage
Molecular Formula
C₂H₃ClO₂
Molecular Mass
94.49702
Exact Mass
93.98215702
Charge
0
InChI
InChI=1S/C2H3ClO2/c1-5-2(3)4/h1H3
InChIKey
XMJHPCRAQCTCFT-UHFFFAOYSA-N
Canonic Smiles
COC(=O)Cl
Isomeric Smiles
O(C(=O)Cl)C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
0.9292751
LogD (pH = 7.4)
0.9292751
Log P
0.9292751
Molar Refractivity
18.1258
Polarizability
7.2524567
Polar Surface Area
26.3
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
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Bioactivity
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