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| Ligand Name: 2‐phenyl‐Isothiazolinone |
| Ligand Type: non-polymer |
| Ligand ID: COVPDB231 |
PubChem:
11052198
|
Synonym(s):
- 2-phenylisothiazol-3(2h)-one
- chembl99594
- 21277-98-5
- 2-phenyl-1,2-thiazol-3-one
- 2-phenyl-isothiazol-3-one
- schembl22657
- n2-phenyl-3(2h)-isothiazolone
- schembl11370628
- cid_11052198
- kuc104550n
- bdbm50240683
- ksc-6-138
- mcule-4726551910
- ncgc00184589-01
- az0001-0411
show 14 synonym(s)
|
| DrugBank: - |
ChEMBL: CHEMBL99594 |
| Canonical SMILES: O=c1ccsn1-c2ccccc2 |
| Standard InChI: InChI=1S/C9H7NOS/c11-9-6-7-12-10(9)8-4-2-1-3-5-8/h1-7H |
| Molecular Formula: C9H7NOS |
Mol. Weight: 177.02484 |
logP: 1.899 |
| HBD: 0 | HBA: 3 |
| #Rotatable Bonds: 1 | TPSA: 22.0 |