Molecule

ID:62517

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₄N₂O₄
Molecular Mass
274.27196
Exact Mass
274.09535694
Charge
0
InChI
InChI=1S/C14H14N2O4/c1-9-15-12-6-4-3-5-11(12)14(19)16(9)8-10(17)7-13(18)20-2/h3-6H,7-8H2,1-2H3
InChIKey
ZKZNFMBIQVBZER-UHFFFAOYSA-N
Canonic Smiles
COC(=O)CC(=O)Cn1c(C)nc2c(c1=O)cccc2
Isomeric Smiles
n1(c(=O)c2c(nc1C)cccc2)CC(=O)CC(=O)OC
Calculated Properties
JChem
Acid pKa
10.789051
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
1.0746644
LogD (pH = 7.4)
1.075985
Log P
0.8428479
Molar Refractivity
73.0355
Polarizability
26.934612
Polar Surface Area
76.04
Rotatable Bonds
5
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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