Molecule

ID:115592

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₁N₃O₄
Molecular Mass
285.25484
Exact Mass
285.07495585
Charge
0
InChI
InChI=1S/C14H11N3O4/c1-16-7-9(13(19)20)10-11(16)12(18)17(14(21)15-10)8-5-3-2-4-6-8/h2-7H,1H3,(H,15,21)(H,19,20)
InChIKey
LSENDKDTGOWNOP-UHFFFAOYSA-N
Canonic Smiles
O=c1[nH]c2c(cn(c2c(=O)n1c1ccccc1)C)C(=O)O
Isomeric Smiles
c12c(c(cn2C)C(=O)O)[nH]c(=O)n(c1=O)c1ccccc1
Calculated Properties
JChem
Acid pKa
3.7303615
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
0.39023915
LogD (pH = 7.4)
-1.134442
Log P
2.1597264
Molar Refractivity
75.2396
Polarizability
27.143814
Polar Surface Area
91.64
Rotatable Bonds
2
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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