Structure

InChI Key DKMFBWQBDIGMHM-UHFFFAOYSA-N
Smile CC1CCN(CCCC(=O)c2ccc(F)cc2)CC1
InChI
InChI=1S/C16H22FNO/c1-13-8-11-18(12-9-13)10-2-3-16(19)14-4-6-15(17)7-5-14/h4-7,13H,2-3,8-12H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C16H22FNO
Molecular Weight 263.36
AlogP 3.52
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 5.0
Polar Surface Area 20.31
Molecular species BASE
Aromatic Rings 1.0
Heavy Atoms 19.0

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Schizophrenia 3 D012559 ClinicalTrials
Anxiety 3 D001007 ClinicalTrials
Dementia 3 D003704 ClinicalTrials
Depressive Disorder 3 D003866 ClinicalTrials

Related Entries

MCS

Scaffolds

Cross References

Resources Reference
CAS NUMBER 3575-80-2
ChEBI 93626
ChEMBL CHEMBL1531134
DrugBank DB09224
DrugCentral 1677
EPA CompTox DTXSID0023298
FDA SRS J8WA3K39B7
PubChem 15387
SureChEMBL SCHEMBL146287
ZINC ZINC000000001672