Molecule

ID:5513

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₀N₂O₃
Molecular Mass
242.2301
Exact Mass
242.06914219
Charge
0
InChI
InChI=1S/C13H10N2O3/c16-10-7-5-9(6-8-10)14-15-12-4-2-1-3-11(12)13(17)18/h1-8,16H,(H,17,18)/b15-14+
InChIKey
DWQOTEPNRWVUDA-CCEZHUSRSA-N
Canonic Smiles
Oc1ccc(cc1)/N=N/c1ccccc1C(=O)O
Isomeric Smiles
c1(c(cccc1)C(=O)O)/N=N/c1ccc(cc1)O
Calculated Properties
JChem
LogD (pH = 7.4)
0.20
LogD (pH = 5.5)
1.61
Log P
3.73
Rotatable Bonds
3
H Donor
2
H Acceptors
5
Lipinski's Rule of Five
true
Acid pKa
3.36
Polar Surface Area
82.25
Polarizability
24.40
Molar Refractivity
69.61
LOG S
-3.23
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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