Molecule

ID:9204

General Information
Structure
MolImage
Molecular Formula
C₈H₈F₃NO
Molecular Mass
191.1504296
Exact Mass
191.05579854
Charge
0
InChI
InChI=1S/C8H8F3NO/c9-8(10,11)13-7-4-2-1-3-6(7)5-12/h1-4H,5,12H2
InChIKey
FYXMMFFZMQMXCQ-UHFFFAOYSA-N
Canonic Smiles
NCc1ccccc1OC(F)(F)F
Isomeric Smiles
c1ccc(c(c1)CN)OC(F)(F)F
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.3505384
LogD (pH = 7.4)
1.0209242
Log P
2.5301259
Molar Refractivity
37.6017
Polarizability
15.574047
Polar Surface Area
35.25
Rotatable Bonds
3
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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