Molecule

ID:29136

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₃NO
Molecular Mass
221.33852
Exact Mass
221.17796436
Charge
0
InChI
InChI=1S/C14H23NO/c1-3-5-6-9-12-15-13-10-7-8-11-14(13)16-4-2/h7-8,10-11,15H,3-6,9,12H2,1-2H3
InChIKey
CXHNMXGMQQUYCF-UHFFFAOYSA-N
Canonic Smiles
CCCCCCNc1ccccc1OCC
Isomeric Smiles
c1(c(OCC)cccc1)NCCCCCC
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
3.591125
LogD (pH = 7.4)
3.853566
Log P
3.858197
Molar Refractivity
70.5392
Polarizability
26.903141
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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