Molecule

ID:118578

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₄N₂O₄
Molecular Mass
274.27196
Exact Mass
274.09535694
Charge
0
InChI
InChI=1S/C14H14N2O4/c1-3-20-14(18)13-11(19-2)9-12(17)16(15-13)10-7-5-4-6-8-10/h4-9H,3H2,1-2H3
InChIKey
KXMAMWGQLNTPJH-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1nn(c2ccccc2)c(=O)cc1OC
Isomeric Smiles
n1c(c(cc(=O)n1c1ccccc1)OC)C(=O)OCC
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
2.1463695
LogD (pH = 7.4)
2.1463695
Log P
2.1463695
Molar Refractivity
73.1429
Polarizability
27.505146
Polar Surface Area
68.2
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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