Molecule

ID:129166

General Information
Structure
Molecular Formula
C₁₂H₁₉NO₂
Molecular Mass
209.28476
Exact Mass
209.14157885
Charge
0
InChI
InChI=1S/C12H19NO2/c1-8-5-11(14-3)10(7-9(2)13)12(6-8)15-4/h5-6,9H,7,13H2,1-4H3
InChIKey
CFFJUEYUTHKVMQ-UHFFFAOYSA-N
Canonic Smiles
COc1cc(C)cc(c1CC(N)C)OC
Isomeric Smiles
COc1cc(C)cc(OC)c1CC(C)N
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.0120859
LogD (pH = 7.4)
-0.3791061
Log P
2.0023293
Molar Refractivity
61.6728
Polarizability
24.103088
Polar Surface Area
44.48
Rotatable Bonds
4
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
References
Bioactivity
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