Molecule

ID:101348

General Information
Structure
MolImage
Molecular Formula
C₁₃H₇F₃N₂O
Molecular Mass
264.2026896
Exact Mass
264.05104751
Charge
0
InChI
InChI=1S/C13H7F3N2O/c14-13(15,16)10-3-6-12(17-7-10)9-1-4-11(5-2-9)18-8-19/h1-7H
InChIKey
GFEVPIXAPFROGH-UHFFFAOYSA-N
Canonic Smiles
O=C=Nc1ccc(cc1)c1ccc(cn1)C(F)(F)F
Isomeric Smiles
C(c1cnc(c2ccc(N=C=O)cc2)cc1)(F)(F)F
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
3.5732594
LogD (pH = 7.4)
3.5760179
Log P
3.5760531
Molar Refractivity
63.711
Polarizability
23.71769
Polar Surface Area
42.32
Rotatable Bonds
3
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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