N-(pyridin-3-ylmethyl)-N'-[(Z)-thiophen-2-ylmethylideneamino]oxamide
Formula:C13H12N4O2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-(pyridin-3-ylmethyl)-N'-[(Z)-thiophen-2-ylmethylideneamino]oxamide is a drug-like molecule.
| MolName | N-(pyridin-3-ylmethyl)-N'-[(Z)-thiophen-2-ylmethylideneamino]oxamide |
| MolecularFormula | C13H12N4O2S |
| Smiles | O=C(C(N/N=C\c1cccs1)=O)NCc1cnccc1 |
| InChI | InChI=1S/C13H12N4O2S/c18-12(15-8-10-3-1-5-14-7-10)13(19)17-16-9-11-4-2-6-20-11/h1-7,9H,8H2,(H,15,18)(H,17,19) |
| InChIK | ICRHOLUSZCGRHF-UHFFFAOYSA-N |
| TotalMolweight | 288.33 |
| Molweight | 288.33 |
| MonoisotopicMass | 288.068096 |
| CLogP | 0.719 |
| CLogS | -2.556 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 224.66 |
| Relative PSA | 0.4088 |
| PolarSurfaceArea | 111.69 |
| Druglikeness | 5.4807 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde; limit! oxal-diamide |
| Shape Index | 0.7 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 1 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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