Molecule

ID:19794

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₉NO₃
Molecular Mass
225.28416
Exact Mass
225.13649347
Charge
0
InChI
InChI=1S/C12H19NO3/c1-10-3-4-12(11(13)9-10)16-8-7-15-6-5-14-2/h3-4,9H,5-8,13H2,1-2H3
InChIKey
QMQWJGBVBOKYFF-UHFFFAOYSA-N
Canonic Smiles
COCCOCCOc1ccc(cc1N)C
Isomeric Smiles
c1(c(ccc(c1)C)OCCOCCOC)N
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
1.3664522
LogD (pH = 7.4)
1.4055961
Log P
1.406119
Molar Refractivity
64.3498
Polarizability
24.505253
Polar Surface Area
53.71
Rotatable Bonds
7
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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