Molecule

ID:20327

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₁NO
Molecular Mass
219.32264
Exact Mass
219.1623143
Charge
0
InChI
InChI=1S/C14H21NO/c1-11-9-13(15)7-8-14(11)16-10-12-5-3-2-4-6-12/h7-9,12H,2-6,10,15H2,1H3
InChIKey
VZQHNHQCUSXTPU-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc(c(c1)C)OCC1CCCCC1
Isomeric Smiles
c1(c(OCC2CCCCC2)ccc(c1)N)C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
3.3796968
LogD (pH = 7.4)
3.6104374
Log P
3.6143532
Molar Refractivity
68.0078
Polarizability
26.085775
Polar Surface Area
35.25
Rotatable Bonds
3
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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