N-(4-chlorophenyl)-N'-[(Z)-pyridin-3-ylmethylideneamino]oxamide
Formula:C14H11N4O2Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-(4-chlorophenyl)-N'-[(Z)-pyridin-3-ylmethylideneamino]oxamide is a drug-like molecule.
| MolName | N-(4-chlorophenyl)-N'-[(Z)-pyridin-3-ylmethylideneamino]oxamide |
| MolecularFormula | C14H11N4O2Cl |
| Smiles | O=C(C(N/N=C\c1cnccc1)=O)Nc(cc1)ccc1Cl |
| InChI | InChI=1S/C14H11ClN4O2/c15-11-3-5-12(6-4-11)18-13(20)14(21)19-17-9-10-2-1-7-16-8-10/h1-9H,(H,18,20)(H,19,21) |
| InChIK | UKKJVTJDNMZVFO-UHFFFAOYSA-N |
| TotalMolweight | 302.72 |
| Molweight | 302.72 |
| MonoisotopicMass | 302.057053 |
| CLogP | 1.749 |
| CLogS | -3.466 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 230.38 |
| Relative PSA | 0.31027 |
| PolarSurfaceArea | 83.45 |
| Druglikeness | 3.76 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde; limit! oxal-diamide |
| Shape Index | 0.71429 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Symmetricatoms | 2 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - N-(4-chlorophenyl)-N'-[(Z)-pyridin-3-ylmethylideneamino]oxamide | 2 - N-(4-chlorophenyl)-N'-[(Z)-pyridin-3-ylmethylideneamino]oxamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off