Molecule

ID:65447

General Information
Structure
Molecular Formula
C₁₂H₉F₃N₂O₂
Molecular Mass
270.2072696
Exact Mass
270.0616122
Charge
0
InChI
InChI=1S/C12H9F3N2O2/c1-2-19-11(18)9-10(12(13,14)15)17-8-6-4-3-5-7(8)16-9/h3-6H,2H2,1H3
InChIKey
HBIZLJRVCDTEIZ-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1nc2ccccc2nc1C(F)(F)F
Isomeric Smiles
c1ccc2c(c1)nc(c(n2)C(=O)OCC)C(F)(F)F
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
3.1089125
LogD (pH = 7.4)
3.1089125
Log P
3.1089125
Molar Refractivity
59.454
Polarizability
23.462078
Polar Surface Area
52.08
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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