Molecule

ID:38026

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₀F₃N₃O₂
Molecular Mass
273.2112096
Exact Mass
273.07251124
Charge
0
InChI
InChI=1S/C11H10F3N3O2/c1-3-19-10(18)7-5-15-17-8(11(12,13)14)4-6(2)16-9(7)17/h4-5H,3H2,1-2H3
InChIKey
ZVXMRVPNSIEQKW-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1cnn2c1nc(C)cc2C(F)(F)F
Isomeric Smiles
c12n(c(C(F)(F)F)cc(n2)C)ncc1C(=O)OCC
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.9424752
LogD (pH = 7.4)
1.9424773
Log P
1.9424773
Molar Refractivity
70.9902
Polarizability
21.814089
Polar Surface Area
56.49
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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