Molecule

ID:59322

General Information
Structure
MolImage
Molecular Formula
C₉H₁₅N₃O₄
Molecular Mass
229.2331
Exact Mass
229.10625598
Charge
0
InChI
InChI=1S/C9H15N3O4/c1-3-15-9(16-4-2)7-11-6-8(5-10-11)12(13)14/h5-6,9H,3-4,7H2,1-2H3
InChIKey
MTOINZKBNHAPFT-UHFFFAOYSA-N
Canonic Smiles
CCOC(Cn1ncc(c1)[N+](=O)[O-])OCC
Isomeric Smiles
c1([N+](=O)[O-])cn(nc1)CC(OCC)OCC
Calculated Properties
JChem
H Acceptors
5
H Donor
0
LogD (pH = 5.5)
1.2866318
LogD (pH = 7.4)
1.286633
Log P
1.286633
Molar Refractivity
68.6079
Polarizability
21.502886
Polar Surface Area
82.1
Rotatable Bonds
7
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
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References
Bioactivity
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