Molecule

ID:29049

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₅NO₂
Molecular Mass
251.3645
Exact Mass
251.18852905
Charge
0
InChI
InChI=1S/C15H25NO2/c1-3-5-9-16-13-14-7-6-8-15(12-14)18-11-10-17-4-2/h6-8,12,16H,3-5,9-11,13H2,1-2H3
InChIKey
JIFPIUZWNPXQIW-UHFFFAOYSA-N
Canonic Smiles
CCCCNCc1cccc(c1)OCCOCC
Isomeric Smiles
c1c(OCCOCC)cccc1CNCCCC
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.19517225
LogD (pH = 7.4)
0.69353795
Log P
3.007655
Molar Refractivity
75.4349
Polarizability
29.805206
Polar Surface Area
30.49
Rotatable Bonds
10
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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