Structure

InChI Key ZPMKQFOGINQDAM-UHFFFAOYSA-N
Smile C[N+](C)([O-])CCC=C1c2ccccc2CCc2ccccc21
InChI
InChI=1S/C20H23NO/c1-21(2,22)15-7-12-20-18-10-5-3-8-16(18)13-14-17-9-4-6-11-19(17)20/h3-6,8-12H,7,13-15H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C20H23NO
Molecular Weight 293.41
AlogP 4.18
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 3.0
Polar Surface Area 23.06
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 22.0

Indications

Mesh Heading Maximum Phase Reference
Depression Phase 4 ClinicalTrials

Related Entries

MCS

Scaffolds

Cross References

Resources Reference
CAS NUMBER 4317-14-0
ChEBI 135224
ChEMBL CHEMBL627
DrugBank DB13114
DrugCentral 181
EPA CompTox DTXSID50195758
FDA SRS TYR2U59WMA
PubChem 20313
SureChEMBL SCHEMBL54518
ZINC ZINC000001481969