N-(4-bromophenyl)-N'-[(Z)-pyridin-3-ylmethylideneamino]oxamide
Formula:C14H11N4O2Br
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
N-(4-bromophenyl)-N'-[(Z)-pyridin-3-ylmethylideneamino]oxamide is a drug-like molecule.
| MolName | N-(4-bromophenyl)-N'-[(Z)-pyridin-3-ylmethylideneamino]oxamide |
| MolecularFormula | C14H11N4O2Br |
| Smiles | O=C(C(N/N=C\c1cnccc1)=O)Nc(cc1)ccc1Br |
| InChI | InChI=1S/C14H11BrN4O2/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 | BSBHLTWACUOAKP-UHFFFAOYSA-N |
| TotalMolweight | 347.171 |
| Molweight | 347.171 |
| MonoisotopicMass | 346.006537 |
| CLogP | 1.8682 |
| CLogS | -3.564 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 233.59 |
| Relative PSA | 0.30601 |
| PolarSurfaceArea | 83.45 |
| Druglikeness | 1.9578 |
| Mutagenic | none |
| Tumorigenic | high |
| 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 |
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1 - N-(4-bromophenyl)-N'-[(Z)-pyridin-3-ylmethylideneamino]oxamide | 2 - N-(4-bromophenyl)-N'-[(Z)-pyridin-3-ylmethylideneamino]oxamide
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