Molecule

ID:94872

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₇F₃N₂O₃
Molecular Mass
282.2594896
Exact Mass
282.11912707
Charge
0
InChI
InChI=1S/C11H17F3N2O3/c1-9(2,3)19-8(18)16-10(11(12,13)14)5-4-6-15-7(10)17/h4-6H2,1-3H3,(H,15,17)(H,16,18)
InChIKey
NIUWIGGGPOVCFV-UHFFFAOYSA-N
Canonic Smiles
O=C(NC1(CCCNC1=O)C(F)(F)F)OC(C)(C)C
Isomeric Smiles
N1CCCC(C1=O)(NC(=O)OC(C)(C)C)C(F)(F)F
Calculated Properties
JChem
Acid pKa
9.63573
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
1.410135
LogD (pH = 7.4)
1.4079314
Log P
1.4101632
Molar Refractivity
60.2964
Polarizability
22.971024
Polar Surface Area
67.43
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
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Molecule Details
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References
Bioactivity
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