Synonyms
Status
Molecule Category Free-form
ATC M03BX09
UNII 2M2P0551D3
EPA CompTox DTXSID5040671

Structure

InChI Key SQUNAWUMZGQQJD-UHFFFAOYSA-N
Smiles CCc1ccc(C(=O)C(C)CN2CCCCC2)cc1
InChI
InChI=1S/C17H25NO/c1-3-15-7-9-16(10-8-15)17(19)14(2)13-18-11-5-4-6-12-18/h7-10,14H,3-6,11-13H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C17H25NO
Molecular Weight 259.39
AlogP 3.55
Hydrogen Bond Acceptor 2.0
Number of Rotational Bond 5.0
Polar Surface Area 20.31
Molecular species BASE
Aromatic Rings 1.0
Heavy Atoms 19.0

Related Entries

Cross References

Resources Reference
ChEBI 77070
ChEMBL CHEMBL1902981
DrugBank DB08992
DrugCentral 1022
FDA SRS 2M2P0551D3
PubChem 3236
SureChEMBL SCHEMBL194769