Molecule

ID:9256

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)6-3-1-2-5(4-6)7(14)13-12/h1-4H,12H2,(H,13,14)
InChIKey
HGUSYNBASYGAMC-UHFFFAOYSA-N
Canonic Smiles
NNC(=O)c1cccc(c1)C(F)(F)F
Isomeric Smiles
c1cc(C(=O)NN)cc(c1)C(F)(F)F
Calculated Properties
JChem
Acid pKa
14.02486
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
1.404409
LogD (pH = 7.4)
1.405248
Log P
1.4052589
Molar Refractivity
45.5942
Polarizability
15.886879
Polar Surface Area
55.12
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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