Molecule

ID:19032

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₉NO₂
Molecular Mass
209.28476
Exact Mass
209.14157885
Charge
0
InChI
InChI=1S/C12H19NO2/c1-3-15-11-7-6-10(5-4-8-13)9-12(11)14-2/h6-7,9H,3-5,8,13H2,1-2H3
InChIKey
AETJHINOZUXDCQ-UHFFFAOYSA-N
Canonic Smiles
NCCCc1ccc(c(c1)OC)OCC
Isomeric Smiles
c1(c(ccc(c1)CCCN)OCC)OC
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.1462799
LogD (pH = 7.4)
-0.62382257
Log P
1.8737096
Molar Refractivity
61.5624
Polarizability
24.181234
Polar Surface Area
44.48
Rotatable Bonds
6
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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