1-(3-chlorophenyl)-4-[(Z)-furan-2-ylmethylideneamino]piperazine-2,5-dione
Formula:C15H12N3O3Cl
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
1-(3-chlorophenyl)-4-[(Z)-furan-2-ylmethylideneamino]piperazine-2,5-dione is a drug-like molecule.
| MolName | 1-(3-chlorophenyl)-4-[(Z)-furan-2-ylmethylideneamino]piperazine-2,5-dione |
| MolecularFormula | C15H12N3O3Cl |
| Smiles | O=C(CN(C(C1)=O)/N=C\c2ccco2)N1c1cccc(Cl)c1 |
| InChI | InChI=1S/C15H12ClN3O3/c16-11-3-1-4-12(7-11)18-9-15(21)19(10-14(18)20)17-8-13-5-2-6-22-13/h1-8H,9-10H2 |
| InChIK | QSIBDXIHCBDQEJ-UHFFFAOYSA-N |
| TotalMolweight | 317.731 |
| Molweight | 317.731 |
| MonoisotopicMass | 317.056719 |
| CLogP | 1.7584 |
| CLogS | -3.56 |
| H Acceptors | 6 |
| TotalSurfaceArea | 233.01 |
| Relative PSA | 0.25235 |
| PolarSurfaceArea | 66.12 |
| Druglikeness | 5.3568 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.59091 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 2 |
| Amides | 1 |
| StereoCon |
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