Molecule ID: 6235

IUPAC Name: 2,3,5-tris(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 1,4-benzoquinone in which three of the ring hydrogens are replaced by aziridin-1-yl groups. It has a role as an alkylating agent and an antineoplastic agent. It is a member of aziridines and a member of 1,4-benzoquinones.

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

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

InChI: InChI=1S/C12H13N3O2/c16-9-7-8(13-1-2-13)12(17)11(15-5-6-15)10(9)14-3-4-14/h7H,1-6H2

Molecular Properties:
- Polar Surface Area: 43.2 Ų
- LogP: -0.1