Molecule

ID:29003

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₃NO
Molecular Mass
221.33852
Exact Mass
221.17796436
Charge
0
InChI
InChI=1S/C14H23NO/c1-5-10-16-13-9-7-6-8-12(13)11-15-14(2,3)4/h6-9,15H,5,10-11H2,1-4H3
InChIKey
WVYBCWFPXDVWLL-UHFFFAOYSA-N
Canonic Smiles
CCCOc1ccccc1CNC(C)(C)C
Isomeric Smiles
c1(CNC(C)(C)C)c(OCCC)cccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.16962744
LogD (pH = 7.4)
1.4141401
Log P
3.3072133
Molar Refractivity
68.8474
Polarizability
27.298672
Polar Surface Area
21.26
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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