Molecule

ID:75675

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₆N₂O₃
Molecular Mass
236.26704
Exact Mass
236.11609238
Charge
0
InChI
InChI=1S/C12H16N2O3/c15-14(16)11-3-5-12(6-4-11)17-10-9-13-7-1-2-8-13/h3-6H,1-2,7-10H2
InChIKey
RZIYRKYHMDDHCK-UHFFFAOYSA-N
Canonic Smiles
[O-][N+](=O)c1ccc(cc1)OCCN1CCCC1
Isomeric Smiles
N1(CCCC1)CCOc1ccc(cc1)[N+](=O)[O-]
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
-0.8322536
LogD (pH = 7.4)
0.8784641
Log P
2.1800008
Molar Refractivity
65.406
Polarizability
24.721346
Polar Surface Area
58.29
Rotatable Bonds
5
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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