Molecule

ID:38614

General Information
Structure
MolImage
Molecular Formula
C₁₉H₁₆F₃NO₄
Molecular Mass
379.3298496
Exact Mass
379.10314266
Charge
0
InChI
InChI=1S/C19H16F3NO4/c20-19(21,22)9-16(17(24)25)23-18(26)27-10-15-13-7-3-1-5-11(13)12-6-2-4-8-14(12)15/h1-8,15-16H,9-10H2,(H,23,26)(H,24,25)
InChIKey
CHNDOSLXDQUFJI-UHFFFAOYSA-N
Canonic Smiles
O=C(NC(C(=O)O)CC(F)(F)F)OCC1c2ccccc2c2c1cccc2
Isomeric Smiles
C(CC(F)(F)F)(C(=O)O)NC(=O)OCC1c2c(c3c1cccc3)cccc2
Calculated Properties
JChem
Acid pKa
3.8970385
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
2.1907234
LogD (pH = 7.4)
0.5561015
Log P
3.799945
Molar Refractivity
89.7304
Polarizability
35.086796
Polar Surface Area
75.63
Rotatable Bonds
7
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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