Molecule

ID:54095

General Information
Structure
MolImage
Molecular Formula
C₈H₉F₃N₂
Molecular Mass
190.1656696
Exact Mass
190.07178296
Charge
0
InChI
InChI=1S/C8H9F3N2/c1-13(2)7-4-3-6(5-12-7)8(9,10)11/h3-5H,1-2H3
InChIKey
QJBWCTIYNAUNGO-UHFFFAOYSA-N
Canonic Smiles
CN(c1ccc(cn1)C(F)(F)F)C
Isomeric Smiles
c1(cnc(cc1)N(C)C)C(F)(F)F
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.11725
LogD (pH = 7.4)
2.332281
Log P
2.3359232
Molar Refractivity
44.6169
Polarizability
15.455881
Polar Surface Area
16.13
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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