Structure

InChI Key XVDFMHARQUBJRE-UHFFFAOYSA-N
Smile CNCCc1ccccn1.Cl.Cl
InChI
InChI=1S/C8H12N2.2ClH/c1-9-7-5-8-4-2-3-6-10-8;;/h2-4,6,9H,5,7H2,1H3;2*1H

Physicochemical Descriptors

Property Name Value
Molecular Formula C8H14Cl2N2
Molecular Weight 209.12
AlogP 0.84
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 3.0
Polar Surface Area 24.92
Molecular species BASE
Aromatic Rings 1.0
Heavy Atoms 10.0

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Attention Deficit Disorder with Hyperactivity 1 D001289 ClinicalTrials
Obesity 1 D009765 ClinicalTrials

Cross References

Resources Reference
ChEMBL CHEMBL1446813
EPA CompTox DTXSID10204355
FDA SRS 49K58SMZ7U
SureChEMBL SCHEMBL60646