Molecule

ID:62569

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₀N₂O₄
Molecular Mass
258.2295
Exact Mass
258.06405681
Charge
0
InChI
InChI=1S/C13H10N2O4/c14-12(16)8-1-4-10(5-2-8)19-11-6-3-9(7-15-11)13(17)18/h1-7H,(H2,14,16)(H,17,18)
InChIKey
RBPCTMWDTNCJML-UHFFFAOYSA-N
Canonic Smiles
NC(=O)c1ccc(cc1)Oc1ccc(cn1)C(=O)O
Isomeric Smiles
c1(C(=O)O)cnc(Oc2ccc(C(=O)N)cc2)cc1
Calculated Properties
JChem
Acid pKa
3.7592459
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-0.3834859
LogD (pH = 7.4)
-1.9222889
Log P
1.3585413
Molar Refractivity
66.79
Polarizability
24.9836
Polar Surface Area
102.51
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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