Molecule

ID:20647

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₃NO₂
Molecular Mass
249.34862
Exact Mass
249.17287898
Charge
0
InChI
InChI=1S/C15H23NO2/c1-17-15-6-4-13(5-7-15)8-10-18-12-14-3-2-9-16-11-14/h4-7,14,16H,2-3,8-12H2,1H3
InChIKey
PLWTXGVVETUSRT-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1)CCOCC1CCCNC1
Isomeric Smiles
N1CC(COCCc2ccc(cc2)OC)CCC1
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.103304
LogD (pH = 7.4)
-0.5883636
Log P
2.1259282
Molar Refractivity
73.7189
Polarizability
28.99409
Polar Surface Area
30.49
Rotatable Bonds
6
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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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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