Status: Phase 3
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 797K01YF1M

Structure

InChI Key OVTCHWSLKGENKP-UHFFFAOYSA-N
Smile CC(C)(C)[N+]([O-])=Cc1ccc(S(=O)(=O)O)cc1S(=O)(=O)O
InChI
InChI=1S/C11H15NO7S2/c1-11(2,3)12(13)7-8-4-5-9(20(14,15)16)6-10(8)21(17,18)19/h4-7H,1-3H3,(H,14,15,16)(H,17,18,19)

Physicochemical Descriptors

Property Name Value
Molecular Formula C11H15NO7S2
Molecular Weight 337.38
AlogP 0.91
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 3.0
Polar Surface Area 134.81
Molecular species ACID
Aromatic Rings 1.0
Heavy Atoms 21.0

Cross References

Resources Reference
ChEBI 135431
ChEMBL CHEMBL2111090
DrugCentral 3162
FDA SRS 797K01YF1M
PubChem 151179