Molecule
ID:77830
General Information
Molecular Formula
C₃H₃Cl₃O
Molecular Mass
161.41432
Exact Mass
159.92494776
Charge
0
InChI
InChI=1S/C3H3Cl3O/c1-2(7)3(4,5)6/h1H3
InChIKey
SMZHKGXSEAGRTI-UHFFFAOYSA-N
Canonic Smiles
CC(=O)C(Cl)(Cl)Cl
Isomeric Smiles
O=C(C(Cl)(Cl)Cl)C
Calculated Properties
JChem
Acid pKa
16.219805
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.8586682
LogD (pH = 7.4)
1.8586682
Log P
1.8586682
Molar Refractivity
31.7094
Polarizability
12.152161
Polar Surface Area
17.07
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
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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