Molecule ID: 12967

IUPAC Name: 1-ethyl-1-nitrosourea

Description: The molecule is a member of the class of N-nitrosoureas that is urea in which one of the nitrogens is substituted by ethyl and nitroso groups. It has a role as an alkylating agent, a mutagen, a carcinogenic agent and a genotoxin. It derives from a urea.

SMILES: CCN(N=O)C(=N)O

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

InChI: InChI=1S/C3H7N3O2/c1-2-6(5-8)3(4)7/h2H2,1H3,(H2,4,7)

Molecular Properties:
- Polar Surface Area: 75.8 Ų
- LogP: 0.2