Molecule

ID:97642

General Information
Structure
MolImage
Molecular Formula
C₈H₇F₃N₂O
Molecular Mass
204.1491896
Exact Mass
204.05104751
Charge
0
InChI
InChI=1S/C8H7F3N2O/c9-8(10,11)7(14)13-6-3-1-5(12)2-4-6/h1-4H,12H2,(H,13,14)
InChIKey
DEXJVEPWTWVUNM-UHFFFAOYSA-N
Canonic Smiles
O=C(C(F)(F)F)Nc1ccc(cc1)N
Isomeric Smiles
Nc1ccc(cc1)NC(=O)C(F)(F)F
Calculated Properties
JChem
Acid pKa
11.469827
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
1.5109127
LogD (pH = 7.4)
1.5142802
Log P
1.5143589
Molar Refractivity
46.6316
Polarizability
15.834418
Polar Surface Area
55.12
Rotatable Bonds
2
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
No Data Available
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Molecule Details
References
Bioactivity
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