Molecule

ID:16617

General Information
Structure
Molecular Formula
C₁₅H₁₂N₂O₄
Molecular Mass
284.26678
Exact Mass
284.07970687
Charge
0
InChI
InChI=1S/C15H12N2O4/c1-8-6-12(18)21-14-13(8)9(2)16-17(14)11-5-3-4-10(7-11)15(19)20/h3-7H,1-2H3,(H,19,20)
InChIKey
MAZZTFBCNJSBIM-UHFFFAOYSA-N
Canonic Smiles
O=c1cc(C)c2c(o1)n(nc2C)c1cccc(c1)C(=O)O
Isomeric Smiles
c12n(c3cc(ccc3)C(=O)O)nc(c1c(cc(=O)o2)C)C
Calculated Properties
JChem
Acid pKa
3.929628
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
0.46965057
LogD (pH = 7.4)
-1.1512238
Log P
2.0468168
Molar Refractivity
75.2933
Polarizability
28.733757
Polar Surface Area
81.42
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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