Molecule

ID:42647

General Information
Structure
MolImage
Molecular Formula
C₉H₁₁N₃O₃
Molecular Mass
209.20194
Exact Mass
209.08004123
Charge
0
InChI
InChI=1S/C9H11N3O3/c13-12(14)8-1-2-9(10-7-8)11-3-5-15-6-4-11/h1-2,7H,3-6H2
InChIKey
FYJXIPHXFGFEGT-UHFFFAOYSA-N
Canonic Smiles
[O-][N+](=O)c1ccc(nc1)N1CCOCC1
Isomeric Smiles
c1(cnc(cc1)N1CCOCC1)[N+](=O)[O-]
Calculated Properties
JChem
H Acceptors
5
H Donor
0
LogD (pH = 5.5)
1.1793782
LogD (pH = 7.4)
1.1795563
Log P
1.1795585
Molar Refractivity
55.0424
Polarizability
19.85226
Polar Surface Area
71.18
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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