Molecule

ID:115020

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₈N₂O₃
Molecular Mass
274.31502
Exact Mass
274.13174245
Charge
0
InChI
InChI=1S/C15H18N2O3/c1-9-4-5-12(8-10(9)2)17-15(20)13(11(3)16-17)6-7-14(18)19/h4-5,8,13H,6-7H2,1-3H3,(H,18,19)
InChIKey
ZDXYJMIFXKTOGA-UHFFFAOYSA-N
Canonic Smiles
OC(=O)CCC1C(=NN(C1=O)c1ccc(c(c1)C)C)C
Isomeric Smiles
N1(N=C(C(C1=O)CCC(=O)O)C)c1cc(c(cc1)C)C
Calculated Properties
JChem
Acid pKa
4.029421
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
1.184168
LogD (pH = 7.4)
-0.4765277
Log P
2.6654253
Molar Refractivity
75.0168
Polarizability
28.467043
Polar Surface Area
69.97
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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