Molecule

ID:43142

General Information
Structure
MolImage
Molecular Formula
C₇H₇F₃N₂O₂
Molecular Mass
208.1378896
Exact Mass
208.04596213
Charge
0
InChI
InChI=1S/C7H7F3N2O2/c1-2-14-6(13)4-5(7(8,9)10)12-3-11-4/h3H,2H2,1H3,(H,11,12)
InChIKey
GKUCPVKNHSQTEO-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1[nH]cnc1C(F)(F)F
Isomeric Smiles
c1(c(C(=O)OCC)[nH]cn1)C(F)(F)F
Calculated Properties
JChem
Acid pKa
6.741706
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.3768666
LogD (pH = 7.4)
0.8196983
Log P
1.3987607
Molar Refractivity
41.2659
Polarizability
14.959542
Polar Surface Area
54.98
Rotatable Bonds
4
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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