Molecule

ID:6588

General Information
Structure
MolImage
Molecular Formula
C₆H₃Cl₂F₃N₂
Molecular Mass
231.0026296
Exact Mass
229.96253813
Charge
0
InChI
InChI=1S/C6H3Cl2F3N2/c7-3-1-2(6(9,10)11)4(12)5(8)13-3/h1H,12H2
InChIKey
BVJJNBRZQVLPIC-UHFFFAOYSA-N
Canonic Smiles
Clc1nc(Cl)c(c(c1)C(F)(F)F)N
Isomeric Smiles
c1c(nc(c(c1C(F)(F)F)N)Cl)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.4529395
LogD (pH = 7.4)
2.4529395
Log P
2.4529395
Molar Refractivity
46.3074
Polarizability
16.028606
Polar Surface Area
38.91
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
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Molecule Details
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References
Bioactivity
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