T9L
- Molecular formula
- C5 H12 N2 O4 Ru
- Molecular weight (g/mol)
- 265.23
- Classification
- NATURAL_PRODUCT
Related PDB structures · 1
Names & identifiers
- IUPAC name
- (1,3-dimethylimidazol-1-ium-2-yl)-tetrakis(oxidanyl)ruthenium
- SMILES
- Cn1cc[n+](c1[Ru](O)(O)(O)O)C
- Isomeric SMILES
- Cn1cc[n+](c1[Ru](O)(O)(O)O)C
- InChI
- InChI=1S/C5H8N2.4H2O.Ru/c1-6-3-4-7(2)5-6;;;;;/h3-4H,1-2H3;4*1H2;/q+1;;;;;+4/p-4
- InChIKey
- GBFAIMOOTSOZCZ-UHFFFAOYSA-J
Chemical & physical properties
- HBA
- 5
- HBD
- 4
- TPSA (Ų)
- 89.73
- cLogP
- -3.21
- Chiral atoms
- 0
- Molar refractivity
- 35.1
- Rings
- 1
- Aromatic rings
- 1
- Fraction Csp³
- 0.4
- Formal charge
- 1
Calculated properties
QED0.318
NPScore0.044364382
SAScore5.655956854