Molecule

ID:35893

General Information
Structure
MolImage
Molecular Formula
C₇H₄N₂O₃
Molecular Mass
164.11826
Exact Mass
164.022192
Charge
0
InChI
InChI=1S/C7H4N2O3/c10-5-8-6-3-1-2-4-7(6)9(11)12/h1-4H
InChIKey
JRVZITODZAQRQM-UHFFFAOYSA-N
Canonic Smiles
O=C=Nc1ccccc1[N+](=O)[O-]
Isomeric Smiles
[N+](=O)(c1c(N=C=O)cccc1)[O-]
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
1.8227856
LogD (pH = 7.4)
1.8227856
Log P
1.8227856
Molar Refractivity
41.4505
Polarizability
14.609771
Polar Surface Area
72.57
Rotatable Bonds
2
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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