Molecule
ID:119878
General Information
Molecular Formula
C₁₁H₈N₂O₄
Molecular Mass
232.19222
Exact Mass
232.04840675
Charge
0
InChI
InChI=1S/C11H8N2O4/c12-9-6-3-5(10(14)15)1-2-8(6)13-4-7(9)11(16)17/h1-4H,(H2,12,13)(H,14,15)(H,16,17)
InChIKey
XTDGQTISPFLAIB-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1ccc2c(c1)c(N)c(cn2)C(=O)O
Isomeric Smiles
c1(c(c2cc(C(=O)O)ccc2nc1)N)C(=O)O
Calculated Properties
JChem
Acid pKa
2.8021715
H Acceptors
6
H Donor
3
LogD (pH = 5.5)
-2.2309752
LogD (pH = 7.4)
-3.7001762
Log P
-0.26467037
Molar Refractivity
59.1921
Polarizability
22.770126
Polar Surface Area
113.51
Rotatable Bonds
2
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
No Data Available
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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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