Molecule

ID:20333

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₉NO₃
Molecular Mass
225.28416
Exact Mass
225.13649347
Charge
0
InChI
InChI=1S/C12H19NO3/c1-10-9-11(13)3-4-12(10)16-8-7-15-6-5-14-2/h3-4,9H,5-8,13H2,1-2H3
InChIKey
AFWMAJOFWVDDOK-UHFFFAOYSA-N
Canonic Smiles
COCCOCCOc1ccc(cc1C)N
Isomeric Smiles
c1(c(ccc(c1)N)OCCOCCOC)C
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
1.2096765
LogD (pH = 7.4)
1.402993
Log P
1.406119
Molar Refractivity
64.3498
Polarizability
24.504639
Polar Surface Area
53.71
Rotatable Bonds
7
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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