Molecule

ID:38060

General Information
Structure
MolImage
Molecular Formula
C₁₇H₁₄F₃N₃O₃
Molecular Mass
365.3065696
Exact Mass
365.09872598
Charge
0
InChI
InChI=1S/C17H14F3N3O3/c1-3-26-16(24)12-9-21-23-14(17(18,19)20)8-13(22-15(12)23)10-5-4-6-11(7-10)25-2/h4-9H,3H2,1-2H3
InChIKey
HBTPQFUDMAKKQZ-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1cnn2c1nc(cc2C(F)(F)F)c1cccc(c1)OC
Isomeric Smiles
c12n(c(cc(n2)c2cc(OC)ccc2)C(F)(F)F)ncc1C(=O)OCC
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
3.6865098
LogD (pH = 7.4)
3.6865115
Log P
3.6865115
Molar Refractivity
97.6261
Polarizability
33.238136
Polar Surface Area
65.72
Rotatable Bonds
6
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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