Molecule ID: 132274131

IUPAC Name: diazanium;3-methanidylbutan-2-one;titanium(2+);dihydrate

Description: The molecule is a bisammonium salt of a titanium coordination entity in which the titanium central atom is coordinated to two 2-methyl-3-oxobutane-1,4-diyl bidentate ligands and two hydroxy groups. It is a titanium coordination entity and an ammonium salt.

SMILES: N.N.O.O.[CH2-]C(=[OH+])C([CH2-])C.[CH2-]C(=[OH+])C([CH2-])C.[Ti+2]

SELFIES: [N].[N].[O].[O].[CH2-1][C][=Branch1][C][=OH1+1][C][Branch1][C][CH2-1][C].[CH2-1][C][=Branch1][C][=OH1+1][C][Branch1][C][CH2-1][C].[Ti+2]

InChI: InChI=1S/2C5H8O.2H3N.2H2O.Ti/c2*1-4(2)5(3)6;;;;;/h2*4H,1,3H2,2H3;2*1H3;2*1H2;/q2*-2;;;;;+2/p+2

Molecular Properties:
- Polar Surface Area: 38.1 Ų
- LogP: nan