Molecule

ID:20714

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₉NO
Molecular Mass
241.32816
Exact Mass
241.14666423
Charge
0
InChI
InChI=1S/C16H19NO/c1-2-6-15-10-16(8-7-14(15)5-1)18-12-13-4-3-9-17-11-13/h1-2,5-8,10,13,17H,3-4,9,11-12H2
InChIKey
ZEKZSUIMQDHJKA-UHFFFAOYSA-N
Canonic Smiles
C1CCC(CN1)COc1ccc2c(c1)cccc2
Isomeric Smiles
N1CC(COc2cc3c(cc2)cccc3)CCC1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.27092025
LogD (pH = 7.4)
0.38666698
Log P
2.950967
Molar Refractivity
73.847
Polarizability
30.4607
Polar Surface Area
21.26
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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