Molecule ID: 25203713

IUPAC Name: diaminomethylidene-[4-(phosphonatoamino)butyl]azanium

Description: The molecule is conjugate base of N(4)-phosphoagmatine arising from deprotonation of the N-phospho group and protonation of the guanidino group; major species at pH 7.3. It is a conjugate base of a N(4)-phosphoagmatine.

SMILES: N=C(N)NCCCCNP(=O)([O-])O

SELFIES: [N][=C][Branch1][C][N][N][C][C][C][C][N][P][=Branch1][C][=O][Branch1][C][O-1][O]

InChI: InChI=1S/C5H15N4O3P/c6-5(7)8-3-1-2-4-9-13(10,11)12/h1-4H2,(H4,6,7,8)(H3,9,10,11,12)/p-1

Molecular Properties:
- Polar Surface Area: 141.0 Ų
- LogP: -2.8