Molecule

ID:29053

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₃NO₂
Molecular Mass
249.34862
Exact Mass
249.17287898
Charge
0
InChI
InChI=1S/C15H23NO2/c1-12-6-3-4-8-15(12)18-13(2)10-16-11-14-7-5-9-17-14/h3-4,6,8,13-14,16H,5,7,9-11H2,1-2H3
InChIKey
QQMGUCADIKMKLI-UHFFFAOYSA-N
Canonic Smiles
CC(Oc1ccccc1C)CNCC1CCCO1
Isomeric Smiles
c1(OC(CNCC2OCCC2)C)c(C)cccc1
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.33265343
LogD (pH = 7.4)
0.9290696
Log P
2.7997565
Molar Refractivity
72.9603
Polarizability
28.997759
Polar Surface Area
30.49
Rotatable Bonds
6
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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