Molecule

ID:103427

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₁NO₃
Molecular Mass
251.32144
Exact Mass
251.15214354
Charge
0
InChI
InChI=1S/C14H21NO3/c1-2-3-4-5-6-9-12-18-14-11-8-7-10-13(14)15(16)17/h7-8,10-11H,2-6,9,12H2,1H3
InChIKey
CXVOIIMJZFREMM-UHFFFAOYSA-N
Canonic Smiles
CCCCCCCCOc1ccccc1[N+](=O)[O-]
Isomeric Smiles
CCCCCCCCOc1ccccc1[N+](=O)[O-]
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
4.8577323
LogD (pH = 7.4)
4.8577323
Log P
4.8577323
Molar Refractivity
71.1193
Polarizability
27.5951
Polar Surface Area
52.37
Rotatable Bonds
9
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
References
Bioactivity
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