Molecule

ID:18248

General Information
Structure
MolImage
Molecular Formula
C₉H₁₀F₃NO
Molecular Mass
205.1770096
Exact Mass
205.07144861
Charge
0
InChI
InChI=1S/C9H10F3NO/c1-2-14-8-4-3-6(13)5-7(8)9(10,11)12/h3-5H,2,13H2,1H3
InChIKey
YAIGBJRRAPBODW-UHFFFAOYSA-N
Canonic Smiles
CCOc1ccc(cc1C(F)(F)F)N
Isomeric Smiles
c1(C(F)(F)F)c(ccc(c1)N)OCC
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.2060626
LogD (pH = 7.4)
2.2211096
Log P
2.2213051
Molar Refractivity
47.9439
Polarizability
17.015522
Polar Surface Area
35.25
Rotatable Bonds
3
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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