Molecule ID: 104799

IUPAC Name: 1-(2-chloroethyl)-3-(1-diethoxyphosphorylethyl)-1-nitrosourea

Description: The molecule is a member of the class of N-nitrosoureas that is ethyl diethylphosphonate in the hydrogen at position 1 of the ethyl group attached to the phosphorus has been replaced by a [(2-chloroethyl)(nitroso)carbamoyl]amino group. It is an organic phosphonate, a member of N-nitrosoureas and an organochlorine compound.

SMILES: CCOP(=O)(OCC)C(C)N=C(O)N(CCCl)N=O

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

InChI: InChI=1S/C9H19ClN3O5P/c1-4-17-19(16,18-5-2)8(3)11-9(14)13(12-15)7-6-10/h8H,4-7H2,1-3H3,(H,11,14)

Molecular Properties:
- Polar Surface Area: 97.3 Ų
- LogP: 0.9