Molecule

ID:38616

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)16(9-17(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
WCJXAGGMJPEDDU-UHFFFAOYSA-N
Canonic Smiles
OC(=O)CC(C(F)(F)F)NC(=O)OCC1c2ccccc2c2c1cccc2
Isomeric Smiles
C(CC(=O)O)(C(F)(F)F)NC(=O)OCC1c2c(c3c1cccc3)cccc2
Calculated Properties
JChem
Acid pKa
4.1892443
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
2.3995576
LogD (pH = 7.4)
0.6875707
Log P
3.7284288
Molar Refractivity
89.9029
Polarizability
35.08728
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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