Molecule

ID:62516

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₆N₂O₄
Molecular Mass
288.29854
Exact Mass
288.111007
Charge
0
InChI
InChI=1S/C15H16N2O4/c1-21-14(19)9-11(18)5-4-8-17-10-16-13-7-3-2-6-12(13)15(17)20/h2-3,6-7,10H,4-5,8-9H2,1H3
InChIKey
MOPUNJISIQJRDT-UHFFFAOYSA-N
Canonic Smiles
COC(=O)CC(=O)CCCn1cnc2c(c1=O)cccc2
Isomeric Smiles
c1(=O)n(cnc2c1cccc2)CCCC(=O)CC(=O)OC
Calculated Properties
JChem
Acid pKa
10.2782
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
1.5510913
LogD (pH = 7.4)
1.5525564
Log P
1.3198231
Molar Refractivity
77.9994
Polarizability
28.764498
Polar Surface Area
76.04
Rotatable Bonds
7
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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