N-cyclohexyl-N'-[(Z)-thiophen-2-ylmethylideneamino]oxamide
Formula:C13H17N3O2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-cyclohexyl-N'-[(Z)-thiophen-2-ylmethylideneamino]oxamide is a drug-like molecule.
| MolName | N-cyclohexyl-N'-[(Z)-thiophen-2-ylmethylideneamino]oxamide |
| MolecularFormula | C13H17N3O2S |
| Smiles | O=C(C(N/N=C\c1cccs1)=O)NC1CCCCC1 |
| InChI | InChI=1S/C13H17N3O2S/c17-12(15-10-5-2-1-3-6-10)13(18)16-14-9-11-7-4-8-19-11/h4,7-10H,1-3,5-6H2,(H,15,17)(H,16,18) |
| InChIK | NYGAYCOHSCXHAI-UHFFFAOYSA-N |
| TotalMolweight | 279.363 |
| Molweight | 279.363 |
| MonoisotopicMass | 279.104147 |
| CLogP | 1.8575 |
| CLogS | -3.602 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 220.18 |
| Relative PSA | 0.36729 |
| PolarSurfaceArea | 98.8 |
| Druglikeness | 0.85477 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde; limit! oxal-diamide |
| Shape Index | 0.68421 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 5 |
| Sp3Atoms | 6 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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1 - N-cyclohexyl-N'-[(Z)-thiophen-2-ylmethylideneamino]oxamide | 2 - N-cyclohexyl-N'-[(Z)-thiophen-2-ylmethylideneamino]oxamide
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