Molecule ID: 2578

IUPAC Name: 1,3-bis(2-chloroethyl)-1-nitrosourea

Description: The molecule is a member of the class of N-nitrosoureas that is 1,3-bis(2-chloroethyl)urea in which one of the nitrogens is substituted by a nitroso group. It has a role as an alkylating agent and an antineoplastic agent. It is a member of N-nitrosoureas and an organochlorine compound.

SMILES: O=NN(CCCl)C(O)=NCCCl

SELFIES: [O][=N][N][Branch1][Ring2][C][C][Cl][C][Branch1][C][O][=N][C][C][Cl]

InChI: InChI=1S/C5H9Cl2N3O2/c6-1-3-8-5(11)10(9-12)4-2-7/h1-4H2,(H,8,11)

Molecular Properties:
- Polar Surface Area: 61.8 Ų
- LogP: 1.5