Molecule

ID:76974

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₉NO₂
Molecular Mass
209.28476
Exact Mass
209.14157885
Charge
0
InChI
InChI=1S/C12H19NO2/c1-12(2,8-13)9-5-6-10(14-3)11(7-9)15-4/h5-7H,8,13H2,1-4H3
InChIKey
CYRFLEMTQNARBO-UHFFFAOYSA-N
Canonic Smiles
NCC(c1ccc(c(c1)OC)OC)(C)C
Isomeric Smiles
NCC(c1cc(c(cc1)OC)OC)(C)C
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.173002
LogD (pH = 7.4)
-0.23710215
Log P
1.8153065
Molar Refractivity
61.0825
Polarizability
24.179008
Polar Surface Area
44.48
Rotatable Bonds
4
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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