Molecule

ID:96757

General Information
Structure
MolImage
Molecular Formula
C₈H₉F₃N₂
Molecular Mass
190.1656696
Exact Mass
190.07178296
Charge
0
InChI
InChI=1S/C8H9F3N2/c1-13-7-3-2-5(4-6(7)12)8(9,10)11/h2-4,13H,12H2,1H3
InChIKey
KWYSQBACVABOFL-UHFFFAOYSA-N
Canonic Smiles
CNc1ccc(cc1N)C(F)(F)F
Isomeric Smiles
N(c1c(cc(cc1)C(F)(F)F)N)C
Calculated Properties
JChem
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
1.4370995
LogD (pH = 7.4)
1.4941679
Log P
1.4949465
Molar Refractivity
46.9259
Polarizability
15.62937
Polar Surface Area
38.05
Rotatable Bonds
2
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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