Molecule

ID:8837

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₁F₃N₂O₂
Molecular Mass
260.2124496
Exact Mass
260.07726226
Charge
0
InChI
InChI=1S/C11H11F3N2O2/c12-11(13,14)8-3-4-9(10(7-8)16(17)18)15-5-1-2-6-15/h3-4,7H,1-2,5-6H2
InChIKey
UHQZHRWBRICNEH-UHFFFAOYSA-N
Canonic Smiles
[O-][N+](=O)c1cc(ccc1N1CCCC1)C(F)(F)F
Isomeric Smiles
c1(cc(ccc1N1CCCC1)C(F)(F)F)[N+](=O)[O-]
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
3.3049104
LogD (pH = 7.4)
3.3049197
Log P
3.3049197
Molar Refractivity
61.326
Polarizability
21.265532
Polar Surface Area
49.06
Rotatable Bonds
3
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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