Molecule

ID:23574

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₈N₂O₄
Molecular Mass
290.31442
Exact Mass
290.12665707
Charge
0
InChI
InChI=1S/C15H18N2O4/c1-3-10(2)16-15(21)11-5-4-6-12(9-11)17-13(18)7-8-14(19)20/h4-10H,3H2,1-2H3,(H,16,21)(H,17,18)(H,19,20)/b8-7+
InChIKey
NRFLSOCEGGWWGU-BQYQJAHWSA-N
Canonic Smiles
CCC(NC(=O)c1cccc(c1)NC(=O)/C=C/C(=O)O)C
Isomeric Smiles
C(=O)(NC(CC)C)c1cc(NC(=O)/C=C/C(=O)O)ccc1
Calculated Properties
JChem
Acid pKa
3.0801113
H Acceptors
4
H Donor
3
LogD (pH = 5.5)
-0.62561035
LogD (pH = 7.4)
-1.7006912
Log P
1.7636093
Molar Refractivity
80.5508
Polarizability
29.402742
Polar Surface Area
95.5
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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