Molecule

ID:73629

General Information
Structure
MolImage
Molecular Formula
C₁₁H₉N₃O₄
Molecular Mass
247.20686
Exact Mass
247.05930578
Charge
0
InChI
InChI=1S/C11H9N3O4/c1-5-9(6(2)15)10-7(13(5)16)3-4-8-11(10)12-18-14(8)17/h3-4,16H,1-2H3
InChIKey
WPISVEXGLGPXSR-UHFFFAOYSA-N
Canonic Smiles
CC(=O)c1c(C)n(c2c1c1no[n+](c1cc2)[O-])O
Isomeric Smiles
o1[n+](c2c(n1)c1c(n(c(c1C(=O)C)C)O)cc2)[O-]
Calculated Properties
JChem
Acid pKa
11.588394
H Acceptors
5
H Donor
1
LogD (pH = 5.5)
-0.23480035
LogD (pH = 7.4)
-0.234828
Log P
-0.2348
Molar Refractivity
85.2495
Polarizability
24.804789
Polar Surface Area
93.72
Rotatable Bonds
1
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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