Molecule

ID:61269

General Information
Structure
MolImage
Molecular Formula
C₁₀H₆N₂O₄
Molecular Mass
218.16564
Exact Mass
218.03275668
Charge
0
InChI
InChI=1S/C10H6N2O4/c13-9-5-6-10(14)11(9)7-3-1-2-4-8(7)12(15)16/h1-6H
InChIKey
SCXAYTWCHGRQPA-UHFFFAOYSA-N
Canonic Smiles
O=C1C=CC(=O)N1c1ccccc1[N+](=O)[O-]
Isomeric Smiles
N1(c2c([N+](=O)[O-])cccc2)C(=O)C=CC1=O
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
1.1857152
LogD (pH = 7.4)
1.1857158
Log P
1.1857158
Molar Refractivity
55.3504
Polarizability
19.96095
Polar Surface Area
83.2
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
Click here to submit data
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
References
Bioactivity
Navigation