Molecule

ID:110808

General Information
Structure
MolImage
Molecular Formula
C₉H₇NO₅
Molecular Mass
209.15558
Exact Mass
209.03242233
Charge
0
InChI
InChI=1S/C9H7NO5/c11-8(9(12)13)5-6-3-1-2-4-7(6)10(14)15/h1-4H,5H2,(H,12,13)
InChIKey
CGCWRLDEYHZQCW-UHFFFAOYSA-N
Canonic Smiles
OC(=O)C(=O)Cc1ccccc1[N+](=O)[O-]
Isomeric Smiles
OC(=O)C(=O)Cc1ccccc1[N+](=O)[O-]
Calculated Properties
JChem
Acid pKa
2.1555512
H Acceptors
5
H Donor
1
LogD (pH = 5.5)
-1.2864126
LogD (pH = 7.4)
-1.6809896
Log P
1.8401979
Molar Refractivity
50.0363
Polarizability
18.46799
Polar Surface Area
100.19
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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