Molecule

ID:40873

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₄N₂O₃
Molecular Mass
258.27256
Exact Mass
258.10044232
Charge
0
InChI
InChI=1S/C14H14N2O3/c1-3-19-13(17)11-9(2)15-14(18)16-12(11)10-7-5-4-6-8-10/h4-8H,3H2,1-2H3,(H,15,16,18)
InChIKey
SWIRDXKNRHFQJR-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1c(C)[nH]c(=O)nc1c1ccccc1
Isomeric Smiles
c1(c(nc(=O)[nH]c1C)c1ccccc1)C(=O)OCC
Calculated Properties
JChem
Acid pKa
9.541235
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.791765
LogD (pH = 7.4)
1.7890316
Log P
1.7918
Molar Refractivity
71.2324
Polarizability
26.79046
Polar Surface Area
67.76
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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