1-[(Z)-furan-2-ylmethylideneamino]-4-phenylpiperazine-2,5-dione
Formula:C15H13N3O3
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
1-[(Z)-furan-2-ylmethylideneamino]-4-phenylpiperazine-2,5-dione is a drug-like molecule.
| MolName | 1-[(Z)-furan-2-ylmethylideneamino]-4-phenylpiperazine-2,5-dione |
| MolecularFormula | C15H13N3O3 |
| Smiles | O=C(CN(C(C1)=O)/N=C\c2ccco2)N1c1ccccc1 |
| InChI | InChI=1S/C15H13N3O3/c19-14-11-18(16-9-13-7-4-8-21-13)15(20)10-17(14)12-5-2-1-3-6-12/h1-9H,10-11H2 |
| InChIK | HGOVUVRORPKWHV-UHFFFAOYSA-N |
| TotalMolweight | 283.286 |
| Molweight | 283.286 |
| MonoisotopicMass | 283.095692 |
| CLogP | 1.1524 |
| CLogS | -2.824 |
| H Acceptors | 6 |
| TotalSurfaceArea | 217.59 |
| Relative PSA | 0.27023 |
| PolarSurfaceArea | 66.12 |
| Druglikeness | 5.3079 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.61905 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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1 - 1-[(Z)-furan-2-ylmethylideneamino]-4-phenylpiperazine-2,5-dione | 2 - 1-[(Z)-furan-2-ylmethylideneamino]-4-phenylpiperazine-2,5-dione
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