Structure

InChI Key HJOCKFVCMLCPTP-UHFFFAOYSA-N
Smile CCOc1ccccc1OCC1CNCCO1.Cl
InChI
InChI=1S/C13H19NO3.ClH/c1-2-15-12-5-3-4-6-13(12)17-10-11-9-14-7-8-16-11;/h3-6,11,14H,2,7-10H2,1H3;1H

Physicochemical Descriptors

Property Name Value
Molecular Formula C13H20ClNO3
Molecular Weight 273.76
AlogP 1.45
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 5.0
Polar Surface Area 39.72
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 17.0

Pharmacology

Action Mechanism of Action Reference
INHIBITOR Norepinephrine transporter inhibitor FDA

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Attention Deficit Disorder with Hyperactivity 4 D001289 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL2106483
EPA CompTox DTXSID8057722
FDA SRS OQW30I1332
SureChEMBL SCHEMBL300741