SITS

Ligand id: 4314

Name: SITS

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 9
Hydrogen bond donors 3
Rotatable bonds 7
Topological polar surface area 199.05
Molecular weight 454
XLogP 2.53
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
5-acetamido-2-[(E)-2-(5-isothiocyanato-2-sulfophenyl)ethenyl]benzenesulfonic acid
Synonyms
4'-isothiocyanostilbene-2,2'-disulphonic acid
Database Links
CAS Registry No. 27816-59-7 (source: Scifinder)
PubChem CID 5311433
Search Google for chemical match using the InChIKey JPFIABFQSOJRGG-NSCUHMNNSA-N
Search Google for chemicals with the same backbone JPFIABFQSOJRGG
Search UniChem for chemical match using the InChIKey JPFIABFQSOJRGG-NSCUHMNNSA-N
Search UniChem for chemicals with the same backbone JPFIABFQSOJRGG