Molecule

ID:46082

General Information
Structure
MolImage
Molecular Formula
C₉H₁₀N₂O₃
Molecular Mass
194.1873
Exact Mass
194.06914219
Charge
0
InChI
InChI=1S/C9H10N2O3/c12-11(13)8-3-1-2-4-9(8)14-7-5-10-6-7/h1-4,7,10H,5-6H2
InChIKey
GQHOCWKTNHUTFL-UHFFFAOYSA-N
Canonic Smiles
[O-][N+](=O)c1ccccc1OC1CNC1
Isomeric Smiles
[N+](=O)(c1c(OC2CNC2)cccc1)[O-]
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-1.4984213
LogD (pH = 7.4)
0.18616663
Log P
1.2793975
Molar Refractivity
50.2715
Polarizability
19.225235
Polar Surface Area
67.08
Rotatable Bonds
3
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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