Molecule

ID:7929

General Information
Structure
MolImage
Molecular Formula
C₈H₆N₂O₅
Molecular Mass
210.14364
Exact Mass
210.0276713
Charge
0
InChI
InChI=1S/C8H6N2O5/c11-7(8(12)13)9-5-1-3-6(4-2-5)10(14)15/h1-4H,(H,9,11)(H,12,13)
InChIKey
ZEJKSYPGUAUQKW-UHFFFAOYSA-N
Canonic Smiles
OC(=O)C(=O)Nc1ccc(cc1)[N+](=O)[O-]
Isomeric Smiles
c1c(ccc(c1)NC(=O)C(=O)O)[N+](=O)[O-]
Calculated Properties
JChem
Acid pKa
1.8165362
H Acceptors
5
H Donor
2
LogD (pH = 5.5)
-2.1980226
LogD (pH = 7.4)
-2.415322
Log P
1.1105345
Molar Refractivity
49.0364
Polarizability
17.82224
Polar Surface Area
109.54
Rotatable Bonds
3
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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