Structure

InChI Key OJIYIVCMRYCWSE-UHFFFAOYSA-M
Smile CCCCCCCCCCCC[N+](C)(C)CCOc1ccccc1.[Br-]
InChI
InChI=1S/C22H40NO.BrH/c1-4-5-6-7-8-9-10-11-12-16-19-23(2,3)20-21-24-22-17-14-13-15-18-22;/h13-15,17-18H,4-12,16,19-21H2,1-3H3;1H/q+1;/p-1

Physicochemical Descriptors

Property Name Value
Molecular Formula C22H40BrNO
Molecular Weight 414.47
AlogP 6.06
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 15.0
Polar Surface Area 9.23
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 24.0

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Candidiasis, Vulvovaginal 2 D002181 ClinicalTrials

Cross References

Resources Reference
ChEBI 31514
ChEMBL CHEMBL486696
EPA CompTox DTXSID5033468
FDA SRS R4CY19YS7C
PubChem 10866
SureChEMBL SCHEMBL117152