Molecule

ID:19893

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₉NO₂
Molecular Mass
209.28476
Exact Mass
209.14157885
Charge
0
InChI
InChI=1S/C12H19NO2/c1-3-6-14-7-8-15-12-9-10(2)4-5-11(12)13/h4-5,9H,3,6-8,13H2,1-2H3
InChIKey
DDERGRIXJVIWJD-UHFFFAOYSA-N
Canonic Smiles
CCCOCCOc1cc(C)ccc1N
Isomeric Smiles
c1(c(ccc(c1)C)N)OCCOCCC
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
2.2558258
LogD (pH = 7.4)
2.3313704
Log P
2.3324249
Molar Refractivity
62.5789
Polarizability
23.80821
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
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Molecule Details
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References
Bioactivity
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