Molecule

ID:128424

General Information
Structure
MolImage
Molecular Formula
C₁₃H₂₁NO₃
Molecular Mass
239.31074
Exact Mass
239.15214354
Charge
0
InChI
InChI=1S/C13H21NO3/c1-5-17-13-7-10(6-9(2)14)11(15-3)8-12(13)16-4/h7-9H,5-6,14H2,1-4H3
InChIKey
NAMNXRTWJMASNT-UHFFFAOYSA-N
Canonic Smiles
CCOc1cc(CC(N)C)c(cc1OC)OC
Isomeric Smiles
COc1cc(OC)c(cc1OCC)CC(C)N
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-1.3283991
LogD (pH = 7.4)
-0.73228097
Log P
1.6880447
Molar Refractivity
67.8434
Polarizability
26.694712
Polar Surface Area
53.71
Rotatable Bonds
6
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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