Status: Phase 2
Entry Type: Small molecule
Molecule Category: UKNOWN
UNII: H3PX4O36U1

Structure

InChI Key BJNSJJXGLIMYAJ-GFCCVEGCSA-N
Smile C[N+](C)(C)CCOC(=O)CCCC[C@@H]1CCSS1
InChI
InChI=1S/C13H26NO2S2/c1-14(2,3)9-10-16-13(15)7-5-4-6-12-8-11-17-18-12/h12H,4-11H2,1-3H3/q+1/t12-/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C13H26NO2S2+
Molecular Weight 292.49
AlogP 2.95
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 8.0
Polar Surface Area 26.3
Molecular species None
Aromatic Rings 0.0
Heavy Atoms 18.0

Cross References

Resources Reference
ChEMBL CHEMBL4650743
FDA SRS H3PX4O36U1