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ChEMBL ID CHEMBL1337170
PubChem CID 2779853
DrugBank Accession Number
ClinicalTrials STATTIC
Molecular Formula C8H5NO4S
Inchikey ZRRGOUHITGRLBA-UHFFFAOYSA-N

Smiles
[O-][N+](=O)c1ccc2C=C[S+](=O)([O-])c2c1

Synonyms
SID50112989, SID90340758

Compound Properties
Drug/Drug-like Properties
Known Drug
Medchem Alerts
Passes of Rule of 3
Rule of 5 Violations 0
Molecular Species ACID
Molecular Properties
Molecular Weight 211.19
Rotatable Bonds 1
Acidic pKa (ACD) 3.24
Basic pKa (ACD) 6.99
LogP (ACD) 2.59
LogD (ACD) -0.38
ALogP 0.94
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