Molecule

ID:18945

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₉NO₂
Molecular Mass
209.28476
Exact Mass
209.14157885
Charge
0
InChI
InChI=1S/C12H19NO2/c1-9(13)4-5-10-6-7-11(14-2)8-12(10)15-3/h6-9H,4-5,13H2,1-3H3
InChIKey
UKBLOGXWMZKKOJ-UHFFFAOYSA-N
Canonic Smiles
COc1cc(OC)ccc1CCC(N)C
Isomeric Smiles
c1(cc(ccc1CCC(N)C)OC)OC
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.0917789
LogD (pH = 7.4)
-0.7106376
Log P
1.9334766
Molar Refractivity
61.2326
Polarizability
24.180712
Polar Surface Area
44.48
Rotatable Bonds
5
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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