Molecule ID: 25043

IUPAC Name: 4-chloro-7-nitro-2,1,3-benzoxadiazole

Description: The molecule is a benzoxadiazole that is 2,1,3-benzoxadiazole which is substituted at position 4 by chlorine and at position 7 by a nitro group. It has a role as a fluorescent probe, a fluorochrome, an EC 3.6.1.3 (adenosinetriphosphatase) inhibitor and an EC 1.4.3.4 (monoamine oxidase) inhibitor. It is a benzoxadiazole, a C-nitro compound and an organochlorine compound.

SMILES: O=[N+]([O-])c1ccc(Cl)c2nonc12

SELFIES: [O][=N+1][Branch1][C][O-1][C][=C][C][=C][Branch1][C][Cl][C][=N][O][N][=C][Ring1][#Branch2][Ring1][Branch1]

InChI: InChI=1S/C6H2ClN3O3/c7-3-1-2-4(10(11)12)6-5(3)8-13-9-6/h1-2H

Molecular Properties:
- Polar Surface Area: 84.7 Ų
- LogP: 1.6