Molecule
ID:99657
General Information
Molecular Formula
C₉H₁₀F₃NO
Molecular Mass
205.1770096
Exact Mass
205.07144861
Charge
0
InChI
InChI=1S/C9H10F3NO/c1-6(13)7-2-4-8(5-3-7)14-9(10,11)12/h2-6H,13H2,1H3/t6-/m1/s1
InChIKey
VTLIABOHZPSHRN-ZCFIWIBFSA-N
Canonic Smiles
C[C@H](c1ccc(cc1)OC(F)(F)F)N
Isomeric Smiles
N[C@@H](c1ccc(cc1)OC(F)(F)F)C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.05696071
LogD (pH = 7.4)
0.72956264
Log P
2.9467008
Molar Refractivity
42.0205
Polarizability
17.370928
Polar Surface Area
35.25
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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