Molecule
ID:12145
General Information
Molecular Formula
C₂HCl₃F₂
Molecular Mass
169.3851464
Exact Mass
167.91118951
Charge
0
InChI
InChI=1S/C2HCl3F2/c3-1(6)2(4,5)7/h1H
InChIKey
BQNSLJQRJAJITR-UHFFFAOYSA-N
Canonic Smiles
FC(C(Cl)(Cl)F)Cl
Isomeric Smiles
C(C(F)(Cl)Cl)(F)Cl
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
2.4397573
LogD (pH = 7.4)
2.4397573
Log P
2.4397573
Molar Refractivity
26.5676
Polarizability
10.140513
Polar Surface Area
0.0
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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