Molecule

ID:13417

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₃NO₃
Molecular Mass
265.34802
Exact Mass
265.1677936
Charge
0
InChI
InChI=1S/C15H23NO3/c1-17-13-9-8-11(14(18-2)15(13)19-3)10-16-12-6-4-5-7-12/h8-9,12,16H,4-7,10H2,1-3H3
InChIKey
WQFRXDPSYHVMLY-UHFFFAOYSA-N
Canonic Smiles
COc1c(CNC2CCCC2)ccc(c1OC)OC
Isomeric Smiles
c1(CNC2CCCC2)ccc(c(c1OC)OC)OC
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-0.70603687
LogD (pH = 7.4)
0.5954639
Log P
2.4132826
Molar Refractivity
75.1088
Polarizability
29.725582
Polar Surface Area
39.72
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
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Molecule Details
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References
Bioactivity
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