Molecule ID: 440214

IUPAC Name: 2-(diaminomethylideneamino)ethyl methyl hydrogen phosphate

Description: The molecule is an organic phosphate that consists of phosphoethanolamine bearing N-amidino and O-methyl substituents. It is a tautomer of a guanidinoethyl methyl phosphate zwitterion.

SMILES: COP(=O)(O)OCCNC(=N)N

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

InChI: InChI=1S/C4H12N3O4P/c1-10-12(8,9)11-3-2-7-4(5)6/h2-3H2,1H3,(H,8,9)(H4,5,6,7)

Molecular Properties:
- Polar Surface Area: 120.0 Ų
- LogP: -2.6