Molecule

ID:95682

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₇F₃N₂O₂
Molecular Mass
326.3135896
Exact Mass
326.12421245
Charge
0
InChI
InChI=1S/C16H17F3N2O2/c1-15(2,3)11-7-5-10(6-8-11)14(22)23-13-9-12(16(17,18)19)20-21(13)4/h5-9H,1-4H3
InChIKey
FPANFESMSKNFBC-UHFFFAOYSA-N
Canonic Smiles
O=C(c1ccc(cc1)C(C)(C)C)Oc1cc(nn1C)C(F)(F)F
Isomeric Smiles
n1c(cc(n1C)OC(=O)c1ccc(cc1)C(C)(C)C)C(F)(F)F
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
4.960587
LogD (pH = 7.4)
4.9605875
Log P
4.9605875
Molar Refractivity
90.2852
Polarizability
29.472828
Polar Surface Area
44.12
Rotatable Bonds
5
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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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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