Molecule

ID:40601

General Information
Structure
MolImage
Molecular Formula
C₁₉H₁₅F₃N₂O₃
Molecular Mass
376.3292096
Exact Mass
376.10347701
Charge
0
InChI
InChI=1S/C19H15F3N2O3/c1-2-27-18(26)16-15(13-8-3-4-9-14(13)23-16)24-17(25)11-6-5-7-12(10-11)19(20,21)22/h3-10,23H,2H2,1H3,(H,24,25)
InChIKey
ZTVBDHZXBOGEMK-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1[nH]c2c(c1NC(=O)c1cccc(c1)C(F)(F)F)cccc2
Isomeric Smiles
c1(c(NC(=O)c2cc(ccc2)C(F)(F)F)c2c([nH]1)cccc2)C(=O)OCC
Calculated Properties
JChem
Acid pKa
10.62626
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
4.9720244
LogD (pH = 7.4)
4.971799
Log P
4.9720273
Molar Refractivity
95.3031
Polarizability
35.43782
Polar Surface Area
71.19
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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