Molecule

ID:127071

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₉NO₂
Molecular Mass
209.28476
Exact Mass
209.14157885
Charge
0
InChI
InChI=1S/C12H19NO2/c1-9(13-2)7-10-5-6-11(14-3)12(8-10)15-4/h5-6,8-9,13H,7H2,1-4H3
InChIKey
BUWHCARWGYFQPE-UHFFFAOYSA-N
Canonic Smiles
CNC(Cc1ccc(c(c1)OC)OC)C
Isomeric Smiles
COc1cc(CC(C)NC)ccc1OC
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.3040714
LogD (pH = 7.4)
-0.71164954
Log P
1.9214883
Molar Refractivity
61.4062
Polarizability
24.180483
Polar Surface Area
30.49
Rotatable Bonds
5
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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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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