Molecule

ID:24712

General Information
Structure
MolImage
Molecular Formula
C₇H₇F₃N₂O
Molecular Mass
192.1384896
Exact Mass
192.05104751
Charge
0
InChI
InChI=1S/C7H7F3N2O/c8-7(9,10)13-6-3-1-5(12-11)2-4-6/h1-4,12H,11H2
InChIKey
GWFWCTYACJWQKP-UHFFFAOYSA-N
Canonic Smiles
NNc1ccc(cc1)OC(F)(F)F
Isomeric Smiles
C(Oc1ccc(NN)cc1)(F)(F)F
Calculated Properties
JChem
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
2.5890296
LogD (pH = 7.4)
2.7926733
Log P
2.796
Molar Refractivity
38.835
Polarizability
14.878726
Polar Surface Area
47.28
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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