Molecule

ID:32192

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₉NO₂
Molecular Mass
209.28476
Exact Mass
209.14157885
Charge
0
InChI
InChI=1S/C12H19NO2/c1-3-8-15-11-5-4-10(6-7-13)9-12(11)14-2/h4-5,9H,3,6-8,13H2,1-2H3
InChIKey
SREDMHHCBHOIIB-UHFFFAOYSA-N
Canonic Smiles
CCCOc1ccc(cc1OC)CCN
Isomeric Smiles
c1(c(ccc(c1)CCN)OCCC)OC
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.0583763
LogD (pH = 7.4)
-0.3557123
Log P
1.9516633
Molar Refractivity
61.4854
Polarizability
24.180498
Polar Surface Area
44.48
Rotatable Bonds
6
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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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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