Molecule

ID:80221

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₃NO₃
Molecular Mass
265.34802
Exact Mass
265.1677936
Charge
0
InChI
InChI=1S/C15H23NO3/c1-2-3-4-5-6-7-8-13-19-15-11-9-14(10-12-15)16(17)18/h9-12H,2-8,13H2,1H3
InChIKey
JLSCIQUWVGKSDH-UHFFFAOYSA-N
Canonic Smiles
CCCCCCCCCOc1ccc(cc1)[N+](=O)[O-]
Isomeric Smiles
[N+](=O)(c1ccc(cc1)OCCCCCCCCC)[O-]
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
5.302301
LogD (pH = 7.4)
5.302301
Log P
5.302301
Molar Refractivity
76.7245
Polarizability
29.431765
Polar Surface Area
55.05
Rotatable Bonds
10
Lipinski's Rule of Five
false
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
References
Bioactivity
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