Molecule

ID:38023

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₄F₃N₃O₂
Molecular Mass
277.2429696
Exact Mass
277.10381136
Charge
0
InChI
InChI=1S/C11H14F3N3O2/c1-3-19-10(18)7-5-9-15-6(2)4-8(11(12,13)14)17(9)16-7/h5-6,8,15H,3-4H2,1-2H3
InChIKey
HZLDCQZUHQQYNN-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1nn2c(c1)NC(CC2C(F)(F)F)C
Isomeric Smiles
n12c(cc(n1)C(=O)OCC)NC(CC2C(F)(F)F)C
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.829178
LogD (pH = 7.4)
1.8291833
Log P
1.8291833
Molar Refractivity
73.2459
Polarizability
22.50578
Polar Surface Area
56.15
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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