Molecule

ID:80832

General Information
Structure
MolImage
Molecular Formula
C₁₀H₈N₂O₃
Molecular Mass
204.18212
Exact Mass
204.05349213
Charge
0
InChI
InChI=1S/C10H8N2O3/c1-15-8-5-7-3-2-4-11-10(7)9(6-8)12(13)14/h2-6H,1H3
InChIKey
MIMUSZHMZBJBPO-UHFFFAOYSA-N
Canonic Smiles
COc1cc2cccnc2c(c1)[N+](=O)[O-]
Isomeric Smiles
n1c2c(ccc1)cc(cc2[N+](=O)[O-])OC
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
1.9131943
LogD (pH = 7.4)
1.9132131
Log P
1.9132134
Molar Refractivity
52.763
Polarizability
21.325468
Polar Surface Area
65.26
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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