Molecule

ID:94597

General Information
Structure
MolImage
Molecular Formula
C₈H₉F₃N₂
Molecular Mass
190.1656696
Exact Mass
190.07178296
Charge
0
InChI
InChI=1S/C8H9F3N2/c9-8(10,11)6-1-2-7(13)5(3-6)4-12/h1-3H,4,12-13H2
InChIKey
QUVMBUDSNDEGEU-UHFFFAOYSA-N
Canonic Smiles
NCc1cc(ccc1N)C(F)(F)F
Isomeric Smiles
Nc1ccc(cc1CN)C(F)(F)F
Calculated Properties
JChem
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-1.7493346
LogD (pH = 7.4)
-0.41631815
Log P
1.1479368
Molar Refractivity
45.2055
Polarizability
15.966981
Polar Surface Area
52.04
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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