Molecule

ID:60393

General Information
Structure
MolImage
Molecular Formula
C₆H₈F₃N₃O
Molecular Mass
195.1424296
Exact Mass
195.06194655
Charge
0
InChI
InChI=1S/C6H8F3N3O/c1-3(10-2)4-11-5(12-13-4)6(7,8)9/h3,10H,1-2H3
InChIKey
YTQCAWOTIRJHDK-UHFFFAOYSA-N
Canonic Smiles
CNC(c1onc(n1)C(F)(F)F)C
Isomeric Smiles
c1(nc(on1)C(NC)C)C(F)(F)F
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.012229458
LogD (pH = 7.4)
1.4192452
Log P
1.5852523
Molar Refractivity
39.3776
Polarizability
14.018017
Polar Surface Area
50.95
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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