Molecule

ID:100804

General Information
Structure
MolImage
Molecular Formula
C₅HClF₃N
Molecular Mass
167.5163496
Exact Mass
166.97496138
Charge
0
InChI
InChI=1S/C5HClF3N/c6-3-2(7)1-10-5(9)4(3)8/h1H
InChIKey
GNVLNYNBAFGTJE-UHFFFAOYSA-N
Canonic Smiles
Fc1ncc(c(c1F)Cl)F
Isomeric Smiles
n1c(c(c(c(c1)F)Cl)F)F
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.1816545
LogD (pH = 7.4)
2.1816545
Log P
2.1816545
Molar Refractivity
30.3698
Polarizability
10.952778
Polar Surface Area
12.89
Rotatable Bonds
0
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
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References
Bioactivity
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