Molecule

ID:23643

General Information
Structure
Molecular Formula
C₁₅H₁₆N₂O₄
Molecular Mass
288.29854
Exact Mass
288.111007
Charge
0
InChI
InChI=1S/C15H16N2O4/c18-13(7-8-14(19)20)16-12-5-3-11(4-6-12)15(21)17-9-1-2-10-17/h3-8H,1-2,9-10H2,(H,16,18)(H,19,20)/b8-7+
InChIKey
IGZFIIDMMGWAHE-BQYQJAHWSA-N
Canonic Smiles
O=C(Nc1ccc(cc1)C(=O)N1CCCC1)/C=C/C(=O)O
Isomeric Smiles
C(=O)(N1CCCC1)c1ccc(NC(=O)/C=C/C(=O)O)cc1
Calculated Properties
JChem
Acid pKa
3.2207012
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-1.1608074
LogD (pH = 7.4)
-2.344583
Log P
1.0971775
Molar Refractivity
79.2971
Polarizability
28.687551
Polar Surface Area
86.71
Rotatable Bonds
4
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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