Molecule

ID:19506

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₉NO
Molecular Mass
193.28536
Exact Mass
193.14666423
Charge
0
InChI
InChI=1S/C12H19NO/c1-3-6-10(2)9-14-12-8-5-4-7-11(12)13/h4-5,7-8,10H,3,6,9,13H2,1-2H3
InChIKey
YAEPFVKWZBHVMH-UHFFFAOYSA-N
Canonic Smiles
CCCC(COc1ccccc1N)C
Isomeric Smiles
O(c1c(N)cccc1)CC(CCC)C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
3.078751
LogD (pH = 7.4)
3.119543
Log P
3.120089
Molar Refractivity
60.1678
Polarizability
23.212107
Polar Surface Area
35.25
Rotatable Bonds
5
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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