Molecule

ID:136298

General Information
Structure
MolImage
Molecular Formula
C₂HCl₃O
Molecular Mass
149.37304968
Exact Mass
147.91600737
Charge
0
InChI
InChI=1S/C2HCl3O/c3-1(4)2(5)6/h1H/i1+1,2+1
InChIKey
FBCCMZVIWNDFMO-ZDOIIHCHSA-N
Canonic Smiles
Cl[13C](=O)[13CH](Cl)Cl
Isomeric Smiles
[13CH]([13C](=O)Cl)(Cl)Cl
Calculated Properties
JChem
Acid pKa
14.721033
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.5915122
LogD (pH = 7.4)
1.5915122
Log P
1.5915122
Molar Refractivity
26.478
Polarizability
10.391721
Polar Surface Area
17.07
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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