Molecule

ID:36281

General Information
Structure
MolImage
Molecular Formula
C₁₈H₁₉FN₂O₄
Molecular Mass
346.3528632
Exact Mass
346.13288532
Charge
0
InChI
InChI=1S/C18H19FN2O4/c1-25-16-8-6-15(7-9-16)21(12-18(23)24)11-17(22)20-10-13-2-4-14(19)5-3-13/h2-9H,10-12H2,1H3,(H,20,22)(H,23,24)
InChIKey
RVFXGUQNYNNKPH-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1)N(CC(=O)O)CC(=O)NCc1ccc(cc1)F
Isomeric Smiles
N(CC(=O)NCc1ccc(F)cc1)(CC(=O)O)c1ccc(cc1)OC
Calculated Properties
JChem
Acid pKa
3.8719597
H Acceptors
5
H Donor
2
LogD (pH = 5.5)
0.5307605
LogD (pH = 7.4)
-1.0643586
Log P
2.1634936
Molar Refractivity
90.6669
Polarizability
34.229736
Polar Surface Area
78.87
Rotatable Bonds
8
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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