Molecule

ID:95229

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₇F₃N₂O₂
Molecular Mass
302.2921896
Exact Mass
302.12421245
Charge
0
InChI
InChI=1S/C14H17F3N2O2/c1-8-6-19(7-9(2)21-8)13(20)11-4-5-12(14(15,16)17)18-10(11)3/h4-5,8-9H,6-7H2,1-3H3
InChIKey
FKYPAFJTDKQZBG-UHFFFAOYSA-N
Canonic Smiles
CC1OC(C)CN(C1)C(=O)c1ccc(nc1C)C(F)(F)F
Isomeric Smiles
N1(C(=O)c2c(nc(cc2)C(F)(F)F)C)CC(C)OC(C1)C
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.0632734
LogD (pH = 7.4)
2.0632842
Log P
2.0632844
Molar Refractivity
70.8782
Polarizability
26.27221
Polar Surface Area
42.43
Rotatable Bonds
2
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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