Molecule

ID:41610

General Information
Structure
MolImage
Molecular Formula
C₁₂H₉F₃N₂O₂
Molecular Mass
270.2072696
Exact Mass
270.0616122
Charge
0
InChI
InChI=1S/C12H9F3N2O2/c1-17-11(19-8-5-3-2-4-6-8)9(7-18)10(16-17)12(13,14)15/h2-7H,1H3
InChIKey
JDLPKSIFGPLXAU-UHFFFAOYSA-N
Canonic Smiles
O=Cc1c(Oc2ccccc2)n(nc1C(F)(F)F)C
Isomeric Smiles
c1(c(c(n(n1)C)Oc1ccccc1)C=O)C(F)(F)F
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.966885
LogD (pH = 7.4)
2.9668853
Log P
2.9668853
Molar Refractivity
72.6412
Polarizability
22.385948
Polar Surface Area
44.12
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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