ME7
- Molecular formula
- C10 H8 N2 O4
- Molecular weight (g/mol)
- 220.18
- Classification
- LIKELY_SYNTHETIC
Related PDB structures · 1
Names & identifiers
- IUPAC name
- 1,1'-ethane-1,2-diylbis(1H-pyrrole-2,5-dione)
- SMILES
- C1=CC(=O)N(C1=O)CCN2C(=O)C=CC2=O
- Isomeric SMILES
- C1=CC(=O)N(C1=O)CCN2C(=O)C=CC2=O
- InChI
- InChI=1S/C10H8N2O4/c13-7-1-2-8(14)11(7)5-6-12-9(15)3-4-10(12)16/h1-4H,5-6H2
- InChIKey
- PUKLCKVOVCZYKF-UHFFFAOYSA-N
Chemical & physical properties
- HBA
- 4
- HBD
- 0
- TPSA (Ų)
- 74.76
- cLogP
- -1.16
- Chiral atoms
- 0
- Molar refractivity
- 51.72
- Rings
- 2
- Aromatic rings
- 0
- Fraction Csp³
- 0.2
- Formal charge
- 0
Calculated properties
QED0.562
NPScore-0.054474685
SAScore6.098755544