Molecule

ID:110882

General Information
Structure
MolImage
Molecular Formula
C₃H₃Cl₃O₂
Molecular Mass
177.41372
Exact Mass
175.91986238
Charge
0
InChI
InChI=1S/C3H3Cl3O2/c1-8-2(7)3(4,5)6/h1H3
InChIKey
VHFUHRXYRYWELT-UHFFFAOYSA-N
Canonic Smiles
COC(=O)C(Cl)(Cl)Cl
Isomeric Smiles
COC(=O)C(Cl)(Cl)Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.6749368
LogD (pH = 7.4)
1.6749368
Log P
1.6749368
Molar Refractivity
32.9274
Polarizability
12.953199
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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