Molecule

ID:75773

General Information
Structure
MolImage
Molecular Formula
C₁₀H₈N₂O₃
Molecular Mass
204.18212
Exact Mass
204.05349213
Charge
0
InChI
InChI=1S/C10H8N2O3/c1-7-6-11-10(15-7)8-4-2-3-5-9(8)12(13)14/h2-6H,1H3
InChIKey
CJAARHWYECEAFS-UHFFFAOYSA-N
Canonic Smiles
Cc1cnc(o1)c1ccccc1[N+](=O)[O-]
Isomeric Smiles
n1c(c2c(cccc2)[N+](=O)[O-])oc(c1)C
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.0794475
LogD (pH = 7.4)
2.079453
Log P
2.079453
Molar Refractivity
63.3392
Polarizability
20.245205
Polar Surface Area
69.17
Rotatable Bonds
2
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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