Molecule

ID:29667

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₃NO₂
Molecular Mass
249.34862
Exact Mass
249.17287898
Charge
0
InChI
InChI=1S/C15H23NO2/c1-2-3-9-16-13-6-4-7-14(11-13)18-12-15-8-5-10-17-15/h4,6-7,11,15-16H,2-3,5,8-10,12H2,1H3
InChIKey
OZJBGKXGNYHBQW-UHFFFAOYSA-N
Canonic Smiles
CCCCNc1cccc(c1)OCC1CCCO1
Isomeric Smiles
c1c(OCC2OCCC2)cccc1NCCCC
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
2.9823895
LogD (pH = 7.4)
3.0301957
Log P
3.0308406
Molar Refractivity
74.8433
Polarizability
28.683037
Polar Surface Area
30.49
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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