Molecule

ID:96386

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₃F₃N₂O
Molecular Mass
246.2289296
Exact Mass
246.09799771
Charge
0
InChI
InChI=1S/C11H13F3N2O/c1-16(2)8-15-7-9-5-3-4-6-10(9)17-11(12,13)14/h3-6,8H,7H2,1-2H3
InChIKey
KDGFCKNYXGAXCE-UHFFFAOYSA-N
Canonic Smiles
CN(/C=N/Cc1ccccc1OC(F)(F)F)C
Isomeric Smiles
O(c1c(cccc1)C/N=C/N(C)C)C(F)(F)F
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
0.4950445
LogD (pH = 7.4)
0.55465716
Log P
2.9096873
Molar Refractivity
54.8035
Polarizability
21.395693
Polar Surface Area
24.83
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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