Molecule

ID:33733

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₁NO₂
Molecular Mass
247.33274
Exact Mass
247.15722892
Charge
0
InChI
InChI=1S/C15H21NO2/c1-12-4-3-7-16(9-12)10-14-8-13(11-17)5-6-15(14)18-2/h5-6,8,11-12H,3-4,7,9-10H2,1-2H3
InChIKey
PISJPJSRMYEKGK-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1CN1CCCC(C1)C)C=O
Isomeric Smiles
c1(CN2CC(CCC2)C)c(ccc(c1)C=O)OC
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
0.4432376
LogD (pH = 7.4)
2.1652844
Log P
2.6848125
Molar Refractivity
74.2615
Polarizability
28.426317
Polar Surface Area
29.54
Rotatable Bonds
4
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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