Molecule

ID:41952

General Information
Structure
MolImage
Molecular Formula
C₇H₄N₂O₃
Molecular Mass
164.11826
Exact Mass
164.022192
Charge
0
InChI
InChI=1S/C7H4N2O3/c10-9(11)5-1-2-7-6(3-5)8-4-12-7/h1-4H
InChIKey
MNEOLRFGVQZMLA-UHFFFAOYSA-N
Canonic Smiles
[O-][N+](=O)c1ccc2c(c1)nco2
Isomeric Smiles
c1c(cc2c(c1)ocn2)[N+](=O)[O-]
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.2598495
LogD (pH = 7.4)
1.2598495
Log P
1.2598495
Molar Refractivity
39.0436
Polarizability
15.72577
Polar Surface Area
69.17
Rotatable Bonds
1
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
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Molecule Details
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References
Bioactivity
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