Molecule

ID:119239

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₆N₂O₄
Molecular Mass
276.28784
Exact Mass
276.111007
Charge
0
InChI
InChI=1S/C14H16N2O4/c1-9(2)12(14(20)15-8-11(17)18)16-13(19)10-6-4-3-5-7-10/h3-7H,8H2,1-2H3,(H,15,20)(H,16,19)(H,17,18)
InChIKey
UWAPKEAXRYEUOV-UHFFFAOYSA-N
Canonic Smiles
OC(=O)CNC(=O)C(=C(C)C)NC(=O)c1ccccc1
Isomeric Smiles
C(=C(C)C)(NC(=O)c1ccccc1)C(=O)NCC(=O)O
Calculated Properties
JChem
Acid pKa
3.6227129
H Acceptors
4
H Donor
3
LogD (pH = 5.5)
-1.2988242
LogD (pH = 7.4)
-2.7602186
Log P
0.57484275
Molar Refractivity
73.7896
Polarizability
27.583961
Polar Surface Area
95.5
Rotatable Bonds
5
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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