Structure

InChI Key WYDUSKDSKCASEF-UHFFFAOYSA-N
Smile OC(CCN1CCCC1)(c1ccccc1)C1CCCCC1
InChI
InChI=1S/C19H29NO/c21-19(17-9-3-1-4-10-17,18-11-5-2-6-12-18)13-16-20-14-7-8-15-20/h1,3-4,9-10,18,21H,2,5-8,11-16H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C19H29NO
Molecular Weight 287.45
AlogP 3.94
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 5.0
Polar Surface Area 23.47
Molecular species BASE
Aromatic Rings 1.0
Heavy Atoms 21.0

Pharmacology

Indications

Mesh Heading Maximum Phase Mesh ID Reference

Related Entries

Scaffolds

Cross References

Resources Reference
ChEBI 8448
ChEMBL CHEMBL86715
DrugBank DB00387
DrugCentral 2276
EPA CompTox DTXSID2023515
FDA SRS C6QE1Q1TKR
Human Metabolome Database HMDB0014531
Guide to Pharmacology 7280
KEGG C07378
PharmGKB PA164784001
PubChem 4919
SureChEMBL SCHEMBL147344