Structure

InChI Key CBEQULMOCCWAQT-WOJGMQOQSA-N
Smile Cc1ccc(/C(=C\CN2CCCC2)c2ccccn2)cc1
InChI
InChI=1S/C19H22N2/c1-16-7-9-17(10-8-16)18(19-6-2-3-12-20-19)11-15-21-13-4-5-14-21/h2-3,6-12H,4-5,13-15H2,1H3/b18-11+

Physicochemical Descriptors

Property Name Value
Molecular Formula C19H22N2
Molecular Weight 278.4
AlogP 3.92
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 4.0
Polar Surface Area 16.13
Molecular species BASE
Aromatic Rings 2.0
Heavy Atoms 21.0

Pharmacology

Indications

Mesh Heading Maximum Phase Mesh ID Reference

Related Entries

Scaffolds

Cross References

Resources Reference
ChEBI 84116
ChEMBL CHEMBL855
DrugBank DB00427
DrugCentral 2763
EPA CompTox DTXSID3023718
FDA SRS 2L8T9S52QM
Human Metabolome Database HMDB0014571
Guide to Pharmacology 1228
PharmGKB PA451797
PubChem 5282443
SureChEMBL SCHEMBL4905
ZINC ZINC000012503099