[(Z)-thieno[2,3-c]pyridin-7-ylmethylideneamino]thiourea
Formula:C9H8N4S2
Mutagenic:low
Tumorigenic:none
Reproductive Effective:none
[(Z)-thieno[2,3-c]pyridin-7-ylmethylideneamino]thiourea is a drug-like molecule.
| MolName | [(Z)-thieno[2,3-c]pyridin-7-ylmethylideneamino]thiourea |
| MolecularFormula | C9H8N4S2 |
| Smiles | NC(N/N=C\c1nccc2c1scc2)=S |
| InChI | InChI=1S/C9H8N4S2/c10-9(14)13-12-5-7-8-6(1-3-11-7)2-4-15-8/h1-5H,(H3,10,13,14) |
| InChIK | ZQIGABSQCRGDKJ-UHFFFAOYSA-N |
| TotalMolweight | 236.323 |
| Molweight | 236.323 |
| MonoisotopicMass | 236.019036 |
| CLogP | 1.4241 |
| CLogS | -3.366 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 180.01 |
| Relative PSA | 0.54203 |
| PolarSurfaceArea | 123.63 |
| Druglikeness | 2.6426 |
| Mutagenic | low |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde; thio-amide/urea |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 15 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 2 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 9 |
| Sp3Atoms | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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