Molecule

ID:34201

General Information
Structure
MolImage
Molecular Formula
C₉H₈N₂O₃
Molecular Mass
192.17142
Exact Mass
192.05349213
Charge
0
InChI
InChI=1S/C9H8N2O3/c1-2-14-9-4-3-8(11(12)13)5-7(9)6-10/h3-5H,2H2,1H3
InChIKey
QNHGKWZNRFNTDJ-UHFFFAOYSA-N
Canonic Smiles
CCOc1ccc(cc1C#N)[N+](=O)[O-]
Isomeric Smiles
c1(c(ccc(c1)[N+](=O)[O-])OCC)C#N
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
1.9684628
LogD (pH = 7.4)
1.9684628
Log P
1.9684628
Molar Refractivity
50.3161
Polarizability
18.435688
Polar Surface Area
78.84
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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