Molecule

ID:97395

General Information
Structure
MolImage
Molecular Formula
C₉H₁₀F₃N
Molecular Mass
189.1776096
Exact Mass
189.07653399
Charge
0
InChI
InChI=1S/C9H10F3N/c1-6(13)7-2-4-8(5-3-7)9(10,11)12/h2-6H,13H2,1H3
InChIKey
GUMZDWPMXGQNBG-UHFFFAOYSA-N
Canonic Smiles
CC(c1ccc(cc1)C(F)(F)F)N
Isomeric Smiles
FC(c1ccc(cc1)C(C)N)(F)F
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-0.6098014
LogD (pH = 7.4)
0.18169774
Log P
2.3934379
Molar Refractivity
44.9239
Polarizability
16.59493
Polar Surface Area
26.02
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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