N-[2-oxo-2-[2-(pyridin-3-ylmethylidene)hydrazinyl]ethyl]thiophene-2-carboxamide
Formula:C13H12N4O2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[2-oxo-2-[2-(pyridin-3-ylmethylidene)hydrazinyl]ethyl]thiophene-2-carboxamide is a drug-like molecule.
| MolName | N-[2-oxo-2-[2-(pyridin-3-ylmethylidene)hydrazinyl]ethyl]thiophene-2-carboxamide |
| MolecularFormula | C13H12N4O2S |
| Smiles | O=C(CNC(c1cccs1)=O)NN=Cc1cnccc1 |
| InChI | InChI=1S/C13H12N4O2S/c18-12(9-15-13(19)11-4-2-6-20-11)17-16-8-10-3-1-5-14-7-10/h1-8H,9H2,(H,15,19)(H,17,18) |
| InChIK | KXQPLUGZUVIEJS-UHFFFAOYSA-N |
| TotalMolweight | 288.33 |
| Molweight | 288.33 |
| MonoisotopicMass | 288.068096 |
| CLogP | 1.151 |
| CLogS | -2.703 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 224.66 |
| Relative PSA | 0.4088 |
| PolarSurfaceArea | 111.69 |
| Druglikeness | 7.0506 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| 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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