[(Z)-pyrazin-2-ylmethylideneamino]thiourea
Formula:C6H7N5S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[(Z)-pyrazin-2-ylmethylideneamino]thiourea is a drug-like molecule.
| MolName | [(Z)-pyrazin-2-ylmethylideneamino]thiourea |
| MolecularFormula | C6H7N5S |
| Smiles | NC(N/N=C\c1nccnc1)=S |
| InChI | InChI=1S/C6H7N5S/c7-6(12)11-10-4-5-3-8-1-2-9-5/h1-4H,(H3,7,11,12) |
| InChIK | FDSYXPPWCUWBHM-UHFFFAOYSA-N |
| TotalMolweight | 181.223 |
| Molweight | 181.223 |
| MonoisotopicMass | 181.042215 |
| CLogP | -0.4158 |
| CLogS | -1.332 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 148.23 |
| Relative PSA | 0.59489 |
| PolarSurfaceArea | 108.28 |
| Druglikeness | 2.2769 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde; thio-amide/urea |
| Shape Index | 0.75 |
| Fragments | 1 |
| Non HAtoms | 12 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 2 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 1 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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