Molecule

ID:18856

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₂N₂O₄
Molecular Mass
248.23468
Exact Mass
248.07970687
Charge
0
InChI
InChI=1S/C12H12N2O4/c15-9(16)6-7-12(8-4-2-1-3-5-8)10(17)13-11(18)14-12/h1-5H,6-7H2,(H,15,16)(H2,13,14,17,18)
InChIKey
RUWPCCQWDIAGAJ-UHFFFAOYSA-N
Canonic Smiles
OC(=O)CCC1(NC(=O)NC1=O)c1ccccc1
Isomeric Smiles
N1C(=O)C(NC1=O)(CCC(=O)O)c1ccccc1
Calculated Properties
JChem
Acid pKa
4.140491
H Acceptors
4
H Donor
3
LogD (pH = 5.5)
-0.80935436
LogD (pH = 7.4)
-2.5088718
Log P
0.5658241
Molar Refractivity
60.9077
Polarizability
23.67039
Polar Surface Area
95.5
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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