Molecule

ID:9231

General Information
Structure
Molecular Formula
C₈H₈F₃N
Molecular Mass
175.1510296
Exact Mass
175.06088392
Charge
0
InChI
InChI=1S/C8H8F3N/c9-8(10,11)7-3-1-2-6(4-7)5-12/h1-4H,5,12H2
InChIKey
YKNZTUQUXUXTLE-UHFFFAOYSA-N
Canonic Smiles
NCc1cccc(c1)C(F)(F)F
Isomeric Smiles
c1c(cccc1C(F)(F)F)CN
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-0.9991292
LogD (pH = 7.4)
0.024859997
Log P
1.9768628
Molar Refractivity
40.5051
Polarizability
14.789751
Polar Surface Area
26.02
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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