A6R
- Molecular formula
- C4 H8 As N2 O4 Pt
- Molecular weight (g/mol)
- 418.12
- Classification
- NATURAL_PRODUCT
Related PDB structures · 1
Names & identifiers
- IUPAC name
- arsenoplatin-1
- SMILES
- CC1=N[Pt]2N=C(O[As]2(O1)(O)O)C
- Isomeric SMILES
- CC1=N[Pt]2N=C(O[As]2(O1)(O)O)C
- InChI
- InChI=1S/C4H8AsN2O4.Pt/c1-3(6)10-5(8,9)11-4(2)7;/h8-9H,1-2H3;/q-1;+1
- InChIKey
- OPINMBLEOXZNNE-UHFFFAOYSA-N
Chemical & physical properties
- HBA
- 6
- HBD
- 2
- TPSA (Ų)
- 83.64
- cLogP
- -0.8
- Chiral atoms
- 0
- Molar refractivity
- 38.58
- Rings
- 2
- Aromatic rings
- 0
- Fraction Csp³
- 0.5
- Formal charge
- 0
Calculated properties
QED0.505
NPScore0.017972252
SAScore7.949110766