Molecule

ID:11348

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₀N₂O₄
Molecular Mass
246.2188
Exact Mass
246.06405681
Charge
0
InChI
InChI=1S/C12H10N2O4/c13-7-3-4-8(12(16)17)9(6-7)14-11(15)10-2-1-5-18-10/h1-6H,13H2,(H,14,15)(H,16,17)
InChIKey
UPOPAKLYGGNQTK-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc(c(c1)NC(=O)c1ccco1)C(=O)O
Isomeric Smiles
c1(c(NC(=O)c2occc2)cc(cc1)N)C(=O)O
Calculated Properties
JChem
Acid pKa
4.2617507
H Acceptors
4
H Donor
3
LogD (pH = 5.5)
0.31642264
LogD (pH = 7.4)
-1.405715
Log P
1.6040342
Molar Refractivity
65.939
Polarizability
23.366077
Polar Surface Area
105.56
Rotatable Bonds
3
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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