Molecule

ID:80983

General Information
Structure
MolImage
Molecular Formula
C₃HCl₃O₂
Molecular Mass
175.39784
Exact Mass
173.90421231
Charge
0
InChI
InChI=1S/C3HCl3O2/c4-1(2(5)6)3(7)8/h(H,7,8)
InChIKey
WMUBNWIGNSIRDH-UHFFFAOYSA-N
Canonic Smiles
ClC(=C(C(=O)O)Cl)Cl
Isomeric Smiles
O=C(C(=C(Cl)Cl)Cl)O
Calculated Properties
JChem
Acid pKa
1.8345679
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.6149865
LogD (pH = 7.4)
-1.8492613
Log P
1.676228
Molar Refractivity
42.4823
Polarizability
12.507453
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
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References
Bioactivity
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