Molecule

ID:18494

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₃NO₂
Molecular Mass
249.34862
Exact Mass
249.17287898
Charge
0
InChI
InChI=1S/C15H23NO2/c1-4-9-18-15-8-7-13(12-17)10-14(15)11-16(5-2)6-3/h7-8,10,12H,4-6,9,11H2,1-3H3
InChIKey
WPMCXIOCQWBLQK-UHFFFAOYSA-N
Canonic Smiles
CCCOc1ccc(cc1CN(CC)CC)C=O
Isomeric Smiles
c1(c(ccc(c1)C=O)OCCC)CN(CC)CC
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
0.9335228
LogD (pH = 7.4)
2.6224098
Log P
3.06242
Molar Refractivity
76.4177
Polarizability
29.159681
Polar Surface Area
29.54
Rotatable Bonds
8
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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