Molecule

ID:91844

General Information
Structure
MolImage
Molecular Formula
C₁₃H₂₁NO₂
Molecular Mass
223.31134
Exact Mass
223.15722892
Charge
0
InChI
InChI=1S/C13H21NO2/c1-3-15-13(16-4-2)11-14-10-12-8-6-5-7-9-12/h5-9,13-14H,3-4,10-11H2,1-2H3
InChIKey
SXFVQTYQHWRYOS-UHFFFAOYSA-N
Canonic Smiles
CCOC(OCC)CNCc1ccccc1
Isomeric Smiles
N(Cc1ccccc1)CC(OCC)OCC
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.26515624
LogD (pH = 7.4)
1.432149
Log P
2.4771376
Molar Refractivity
65.6278
Polarizability
26.133219
Polar Surface Area
30.49
Rotatable Bonds
8
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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