1-(4-chlorophenyl)-4-[(Z)-pyridin-3-ylmethylideneamino]piperazine-2,5-dione
Formula:C16H13N4O2Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
1-(4-chlorophenyl)-4-[(Z)-pyridin-3-ylmethylideneamino]piperazine-2,5-dione is a drug-like molecule.
| MolName | 1-(4-chlorophenyl)-4-[(Z)-pyridin-3-ylmethylideneamino]piperazine-2,5-dione |
| MolecularFormula | C16H13N4O2Cl |
| Smiles | O=C(CN(C(C1)=O)/N=C\c2cnccc2)N1c(cc1)ccc1Cl |
| InChI | InChI=1S/C16H13ClN4O2/c17-13-3-5-14(6-4-13)20-10-16(23)21(11-15(20)22)19-9-12-2-1-7-18-8-12/h1-9H,10-11H2 |
| InChIK | AZSBPBABSBCALZ-UHFFFAOYSA-N |
| TotalMolweight | 328.758 |
| Molweight | 328.758 |
| MonoisotopicMass | 328.072703 |
| CLogP | 1.5688 |
| CLogS | -3.083 |
| H Acceptors | 6 |
| TotalSurfaceArea | 242.08 |
| Relative PSA | 0.22992 |
| PolarSurfaceArea | 65.87 |
| Druglikeness | 5.5847 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.65217 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - 1-(4-chlorophenyl)-4-[(Z)-pyridin-3-ylmethylideneamino]piperazine-2,5-dione | 2 - 1-(4-chlorophenyl)-4-[(Z)-pyridin-3-ylmethylideneamino]piperazine-2,5-dione
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off