Molecule ID: 70678753

IUPAC Name: 7-hydroxy-5-(hydroxymethyl)-4H-1,4-benzothiazin-3-one

Description: The molecule is a benzothiazine that is 2H-1,4-benzothiazin-3(4H)-one substituted by a hydroxy and a hydroxymethyl group at positions 7 and 5 respectively. It is an antibacterial agent from Ampelomyces. It has a role as a metabolite and an antibacterial agent. It is a member of phenols, a member of benzyl alcohols, a lactam and a benzothiazine.

SMILES: OCc1cc(O)cc2c1N=C(O)CS2

SELFIES: [O][C][C][=C][C][Branch1][C][O][=C][C][=C][Ring1][#Branch1][N][=C][Branch1][C][O][C][S][Ring1][#Branch1]

InChI: InChI=1S/C9H9NO3S/c11-3-5-1-6(12)2-7-9(5)10-8(13)4-14-7/h1-2,11-12H,3-4H2,(H,10,13)

Molecular Properties:
- Polar Surface Area: 94.9 Ų
- LogP: 0.2