Molecule ID: 95715

IUPAC Name: 2,5-bis(aziridin-1-yl)cyclohexa-2,5-diene-1,4-dione

Description: The molecule is a member of the class of 1,4-benzoquinones that is p-benzoquinone in which the hydrogens at positions 2 and 5 are replaced by aziridin-1-yl groups. It has a role as a mutagen and an alkylating agent. It is a member of 1,4-benzoquinones and a member of aziridines.

SMILES: O=C1C=C(N2CC2)C(=O)C=C1N1CC1

SELFIES: [O][=C][C][=C][Branch1][=Branch1][N][C][C][Ring1][Ring1][C][=Branch1][C][=O][C][=C][Ring1][#Branch2][N][C][C][Ring1][Ring1]

InChI: InChI=1S/C10H10N2O2/c13-9-6-8(12-3-4-12)10(14)5-7(9)11-1-2-11/h5-6H,1-4H2

Molecular Properties:
- Polar Surface Area: 40.2 Ų
- LogP: 0.2