Molecule

ID:110783

General Information
Structure
MolImage
Molecular Formula
C₉H₉NO₄
Molecular Mass
195.17206
Exact Mass
195.05315777
Charge
0
InChI
InChI=1S/C9H9NO4/c1-7(11)14-6-8-2-4-9(5-3-8)10(12)13/h2-5H,6H2,1H3
InChIKey
QNXQLPUEZYZYFC-UHFFFAOYSA-N
Canonic Smiles
CC(=O)OCc1ccc(cc1)[N+](=O)[O-]
Isomeric Smiles
CC(=O)OCc1ccc(cc1)[N+](=O)[O-]
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.5870056
LogD (pH = 7.4)
1.5870056
Log P
1.5870056
Molar Refractivity
48.3459
Polarizability
18.545324
Polar Surface Area
69.44
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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