Check on isomerdesign
Data
InChI: InChI=1S/C12H17NO3/c1-3-9(13)4-8-5-10(14-2)12-11(6-8)15-7-16-12/h5-6,9H,3-4,7,13H2,1-2H3
Synonyms: 1-(7-Methoxy-2H-1,3-benzodioxol-5-yl)butan-2-amine,1-(7-Methoxy-1,3-benzodioxol-5-yl)butan-2-amine
Estimated data
Solubility: -1.966 (log(S) in mol/L prediction using SolTranNet)
Blood Brain Barrier Permeability: Yes (prediction using frontiersin.org)
Addictivity Prediction: 93.5% (prediction based on www.mdpi.com)
The following is a set of comparisons to understand the properties of this compound. This is still higly experimental and is still under active development. Please refer to our series of blog posts to fully understand our approach and its limitations. This information is for informational purposes only and should not be construed as medical advice.
49.1%
49.1%
49.1%
49.1%
49.1%
49.1%
49.1%
49.1%
49.0%
49.0%
49.0%
48.9%
48.9%
48.9%
48.9%
48.8%
48.8%
48.7%
48.7%
48.6%
48.6%
48.6%
48.6%
48.5%
48.5%
48.2%
0.0%
84.1%
84.0%
84.0%
84.0%
83.9%
83.9%
83.9%
83.8%
83.8%
83.8%
83.7%
83.7%
83.6%
83.0%
83.0%
81.7%
37.8%
37.8%
37.7%
37.6%
37.4%
37.4%
37.3%
37.3%
37.3%
37.2%
37.2%
37.1%
37.0%
37.0%
37.0%
36.9%
36.8%
36.8%
36.7%
36.7%
36.5%
36.4%
36.3%
36.2%
36.0%
35.2%
33.2%
