Molecule

ID:100441

General Information
Structure
MolImage
Molecular Formula
C₁₂H₇F₃N₂O₂
Molecular Mass
268.1913896
Exact Mass
268.04596213
Charge
0
InChI
InChI=1S/C12H7F3N2O2/c13-12(14,15)10-5-6-16-11(17-10)19-9-3-1-8(7-18)2-4-9/h1-7H
InChIKey
NOZFDDXUNDCJMA-UHFFFAOYSA-N
Canonic Smiles
O=Cc1ccc(cc1)Oc1nccc(n1)C(F)(F)F
Isomeric Smiles
n1c(nc(cc1)C(F)(F)F)Oc1ccc(cc1)C=O
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
3.2050095
LogD (pH = 7.4)
3.2050097
Log P
3.2050097
Molar Refractivity
61.0948
Polarizability
22.021738
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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