Molecule

ID:15969

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₂N₄O₃
Molecular Mass
236.22728
Exact Mass
236.09094026
Charge
0
InChI
InChI=1S/C10H12N4O3/c15-14(16)10-3-1-9(2-4-10)11-12-13-5-7-17-8-6-13/h1-4H,5-8H2/b12-11+
InChIKey
KCLBHNXQRYEECM-VAWYXSNFSA-N
Canonic Smiles
[O-][N+](=O)c1ccc(cc1)/N=N/N1CCOCC1
Isomeric Smiles
C1CN(CCO1)/N=N/c1ccc(cc1)[N+](=O)[O-]
Calculated Properties
JChem
H Acceptors
6
H Donor
0
LogD (pH = 5.5)
2.088283
LogD (pH = 7.4)
2.088283
Log P
2.088283
Molar Refractivity
65.1953
Polarizability
22.693438
Polar Surface Area
83.01
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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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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