Molecule

ID:10054

General Information
Structure
MolImage
Molecular Formula
C₇H₂ClF₃N₂
Molecular Mass
206.5523896
Exact Mass
205.98586041
Charge
0
InChI
InChI=1S/C7H2ClF3N2/c8-6-4(3-12)1-2-5(13-6)7(9,10)11/h1-2H
InChIKey
CDSFASYGONAHHN-UHFFFAOYSA-N
Canonic Smiles
N#Cc1ccc(nc1Cl)C(F)(F)F
Isomeric Smiles
c1c(nc(c(c1)C#N)Cl)C(F)(F)F
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.6995902
LogD (pH = 7.4)
2.6995902
Log P
2.6995902
Molar Refractivity
41.0905
Polarizability
14.672482
Polar Surface Area
36.68
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
Molecule Details
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References
Bioactivity
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