(3Z)-3-[(2-aminophenyl)methylidene]-1-phenylpyrrolidine-2,5-dione
Formula:C17H14N2O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(3Z)-3-[(2-aminophenyl)methylidene]-1-phenylpyrrolidine-2,5-dione is a drug-like molecule.
| MolName | (3Z)-3-[(2-aminophenyl)methylidene]-1-phenylpyrrolidine-2,5-dione |
| MolecularFormula | C17H14N2O2 |
| Smiles | Nc1c(/C=C(/CC(N2c3ccccc3)=O)\C2=O)cccc1 |
| InChI | InChI=1S/C17H14N2O2/c18-15-9-5-4-6-12(15)10-13-11-16(20)19(17(13)21)14-7-2-1-3-8-14/h1-10H,11,18H2 |
| InChIK | DUKPEWDHTDKWPQ-UHFFFAOYSA-N |
| TotalMolweight | 278.31 |
| Molweight | 278.31 |
| MonoisotopicMass | 278.105528 |
| CLogP | 2.0881 |
| CLogS | -3.772 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 212.31 |
| Relative PSA | 0.21148 |
| PolarSurfaceArea | 63.4 |
| Druglikeness | 3.1903 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.57143 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 2 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Amides | 1 |
| Amines | 1 |
| Aromatic Amines | 1 |
| StereoCon |
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