Molecule

ID:29151

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₃NO
Molecular Mass
221.33852
Exact Mass
221.17796436
Charge
0
InChI
InChI=1S/C14H23NO/c1-4-9-15-10-13-5-7-14(8-6-13)16-11-12(2)3/h5-8,12,15H,4,9-11H2,1-3H3
InChIKey
GRJVQNMJFISESN-UHFFFAOYSA-N
Canonic Smiles
CCCNCc1ccc(cc1)OCC(C)C
Isomeric Smiles
O(c1ccc(cc1)CNCCC)CC(C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.2903171
LogD (pH = 7.4)
1.1362661
Log P
3.497557
Molar Refractivity
68.786
Polarizability
27.29841
Polar Surface Area
21.26
Rotatable Bonds
7
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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