1-benzofuran-5-ylthiourea
Formula:C9H8N2OS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
1-benzofuran-5-ylthiourea is a drug-like molecule.
| MolName | 1-benzofuran-5-ylthiourea |
| MolecularFormula | C9H8N2OS |
| Smiles | NC(Nc(cc1)cc2c1occ2)=S |
| InChI | InChI=1S/C9H8N2OS/c10-9(13)11-7-1-2-8-6(5-7)3-4-12-8/h1-5H,(H3,10,11,13) |
| InChIK | VLBNEFUENGQVKN-UHFFFAOYSA-N |
| TotalMolweight | 192.242 |
| Molweight | 192.242 |
| MonoisotopicMass | 192.035733 |
| CLogP | 1.5891 |
| CLogS | -3.464 |
| H Acceptors | 3 |
| H Donors | 2 |
| TotalSurfaceArea | 150.24 |
| Relative PSA | 0.4582 |
| PolarSurfaceArea | 83.28 |
| Druglikeness | -1.0591 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | thio-amide/urea |
| Shape Index | 0.61538 |
| Fragments | 1 |
| Non HAtoms | 13 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 1 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 9 |
| Sp3Atoms | 1 |
| StereoCon |
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