Molecule
ID:10838
General Information
Molecular Formula
C₁₇H₁₀N₂O₄
Molecular Mass
306.2723
Exact Mass
306.06405681
Charge
0
InChI
InChI=1S/C17H10N2O4/c20-17(21)10-5-6-11-12(9-10)19-16(14-4-2-8-23-14)15(18-11)13-3-1-7-22-13/h1-9H,(H,20,21)
InChIKey
XDEQHYWMTHWMQF-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1ccc2c(c1)nc(c(n2)c1ccco1)c1ccco1
Isomeric Smiles
c1c(cc2c(c1)nc(c(n2)c1ccco1)c1occc1)C(=O)O
Calculated Properties
JChem
Acid pKa
3.9317682
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
1.5682045
LogD (pH = 7.4)
-0.05358918
Log P
3.143306
Molar Refractivity
79.0168
Polarizability
34.056786
Polar Surface Area
89.36
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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