Molecule

ID:23688

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₈N₂O₄
Molecular Mass
290.31442
Exact Mass
290.12665707
Charge
0
InChI
InChI=1S/C15H18N2O4/c1-10(2)9-14(19)17-12-5-3-11(4-6-12)16-13(18)7-8-15(20)21/h3-8,10H,9H2,1-2H3,(H,16,18)(H,17,19)(H,20,21)/b8-7+
InChIKey
OOUNZSSXIKTRTN-BQYQJAHWSA-N
Canonic Smiles
CC(CC(=O)Nc1ccc(cc1)NC(=O)/C=C/C(=O)O)C
Isomeric Smiles
C(=O)(Nc1ccc(NC(=O)/C=C/C(=O)O)cc1)CC(C)C
Calculated Properties
JChem
Acid pKa
3.3104713
H Acceptors
4
H Donor
3
LogD (pH = 5.5)
-0.1096968
LogD (pH = 7.4)
-1.3606416
Log P
2.0632215
Molar Refractivity
81.5238
Polarizability
29.601343
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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