Molecule

ID:7040

General Information
Structure
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Molecular Formula
C₆H₂ClF₃
Molecular Mass
166.5282896
Exact Mass
165.9797124
Charge
0
InChI
InChI=1S/C6H2ClF3/c7-6-4(9)1-3(8)2-5(6)10/h1-2H
InChIKey
HNUHTJBTOGQIHV-UHFFFAOYSA-N
Canonic Smiles
Fc1cc(F)c(c(c1)F)Cl
Isomeric Smiles
c1c(cc(c(c1F)Cl)F)F
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.0053964
LogD (pH = 7.4)
3.0053964
Log P
3.0053964
Molar Refractivity
31.512
Polarizability
11.676547
Polar Surface Area
0.0
Rotatable Bonds
0
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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