Molecule ID: 25202957

IUPAC Name: 2-(diaminomethylideneazaniumyl)ethyl methyl phosphate

Description: The molecule is zwitterionic form of guanidinoethyl methyl phosphate arising from transfer of a proton from the phospho to the guanidino group; major species at pH 7.3. It is a tautomer of a guanidinoethyl methyl phosphate.

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: 125.0 Ų
- LogP: -2.6