Molecule

ID:45214

General Information
Structure
MolImage
Molecular Formula
C₁₀H₇F₃N₂O₂
Molecular Mass
244.1699896
Exact Mass
244.04596213
Charge
0
InChI
InChI=1S/C10H7F3N2O2/c1-2-17-9(16)7-3-6(10(11,12)13)5-15-8(7)4-14/h3,5H,2H2,1H3
InChIKey
GNWHPFNFCLHUSX-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1cc(cnc1C#N)C(F)(F)F
Isomeric Smiles
c1(cc(C(F)(F)F)cnc1C#N)C(=O)OCC
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.2356532
LogD (pH = 7.4)
2.2356534
Log P
2.2356534
Molar Refractivity
51.9983
Polarizability
18.920841
Polar Surface Area
62.98
Rotatable Bonds
4
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
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References
Bioactivity
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