Molecule

ID:18126

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₉NO₂
Molecular Mass
209.28476
Exact Mass
209.14157885
Charge
0
InChI
InChI=1S/C12H19NO2/c1-12(2,14-3)8-9-15-11-7-5-4-6-10(11)13/h4-7H,8-9,13H2,1-3H3
InChIKey
VPXRHDICDFEALD-UHFFFAOYSA-N
Canonic Smiles
COC(CCOc1ccccc1N)(C)C
Isomeric Smiles
c1(c(OCCC(C)(OC)C)cccc1)N
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.6609056
LogD (pH = 7.4)
1.6963136
Log P
1.6967845
Molar Refractivity
62.1875
Polarizability
23.886784
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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