Molecule
ID:120891
General Information
Molecular Formula
C₁₁H₁₀N₂O₄
Molecular Mass
234.2081
Exact Mass
234.06405681
Charge
0
InChI
InChI=1S/C11H10N2O4/c1-7-12-10(17-13-7)6-16-9-4-2-3-8(5-9)11(14)15/h2-5H,6H2,1H3,(H,14,15)
InChIKey
APLUCKKOWGIGJR-UHFFFAOYSA-N
Canonic Smiles
Cc1noc(n1)COc1cccc(c1)C(=O)O
Isomeric Smiles
n1c(onc1C)COc1cc(C(=O)O)ccc1
Calculated Properties
JChem
Acid pKa
3.8363724
H Acceptors
5
H Donor
1
LogD (pH = 5.5)
-0.09396394
LogD (pH = 7.4)
-1.7022846
Log P
1.573882
Molar Refractivity
58.9575
Polarizability
21.755533
Polar Surface Area
85.45
Rotatable Bonds
4
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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