Molecule

ID:29243

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₃NO
Molecular Mass
221.33852
Exact Mass
221.17796436
Charge
0
InChI
InChI=1S/C14H23NO/c1-3-5-8-11-16-14-10-7-6-9-13(14)12-15-4-2/h6-7,9-10,15H,3-5,8,11-12H2,1-2H3
InChIKey
JVHCBUUOSOQOMF-UHFFFAOYSA-N
Canonic Smiles
CCCCCOc1ccccc1CNCC
Isomeric Smiles
c1(c(OCCCCC)cccc1)CNCC
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.405707
LogD (pH = 7.4)
1.773141
Log P
3.499199
Molar Refractivity
68.9924
Polarizability
27.298674
Polar Surface Area
21.26
Rotatable Bonds
8
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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