Molecule

ID:53586

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₉NO₂
Molecular Mass
245.31686
Exact Mass
245.14157885
Charge
0
InChI
InChI=1S/C15H19NO2/c1-4-11-16(15(17)6-3)13-9-7-8-10-14(13)18-12-5-2/h4-5,7-10H,1-2,6,11-12H2,3H3
InChIKey
WALJHXYXSNRKMN-UHFFFAOYSA-N
Canonic Smiles
C=CCOc1ccccc1N(C(=O)CC)CC=C
Isomeric Smiles
N(c1c(OCC=C)cccc1)(C(=O)CC)CC=C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.0803864
LogD (pH = 7.4)
3.0803864
Log P
3.0803864
Molar Refractivity
73.4524
Polarizability
28.29901
Polar Surface Area
29.54
Rotatable Bonds
7
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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