1-(3,5-dichlorophenyl)-4-[(Z)-pyridin-3-ylmethylideneamino]piperazine-2,5-dione
Formula:C16H12N4O2Cl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
1-(3,5-dichlorophenyl)-4-[(Z)-pyridin-3-ylmethylideneamino]piperazine-2,5-dione is a drug-like molecule.
| MolName | 1-(3,5-dichlorophenyl)-4-[(Z)-pyridin-3-ylmethylideneamino]piperazine-2,5-dione |
| MolecularFormula | C16H12N4O2Cl2 |
| Smiles | O=C(CN(C(C1)=O)/N=C\c2cnccc2)N1c1cc(Cl)cc(Cl)c1 |
| InChI | InChI=1S/C16H12Cl2N4O2/c17-12-4-13(18)6-14(5-12)21-9-16(24)22(10-15(21)23)20-8-11-2-1-3-19-7-11/h1-8H,9-10H2 |
| InChIK | BANGKJLPWMUBFY-UHFFFAOYSA-N |
| TotalMolweight | 363.203 |
| Molweight | 363.203 |
| MonoisotopicMass | 362.03373 |
| CLogP | 2.1748 |
| CLogS | -3.819 |
| H Acceptors | 6 |
| TotalSurfaceArea | 257.5 |
| Relative PSA | 0.21616 |
| PolarSurfaceArea | 65.87 |
| Druglikeness | 5.5847 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.58333 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 3 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - 1-(3,5-dichlorophenyl)-4-[(Z)-pyridin-3-ylmethylideneamino]piperazine-2,5-dione | 2 - 1-(3,5-dichlorophenyl)-4-[(Z)-pyridin-3-ylmethylideneamino]piperazine-2,5-dione
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