[(Z)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]thiourea
Formula:C10H11N3O2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[(Z)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]thiourea is a drug-like molecule.
| MolName | [(Z)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]thiourea |
| MolecularFormula | C10H11N3O2S |
| Smiles | NC(N/N=C\c(cc1)cc2c1OCCO2)=S |
| InChI | InChI=1S/C10H11N3O2S/c11-10(16)13-12-6-7-1-2-8-9(5-7)15-4-3-14-8/h1-2,5-6H,3-4H2,(H3,11,13,16) |
| InChIK | RSYHOHHBSJILHY-UHFFFAOYSA-N |
| TotalMolweight | 237.282 |
| Molweight | 237.282 |
| MonoisotopicMass | 237.057197 |
| CLogP | 1.5108 |
| CLogS | -3.08 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 184.73 |
| Relative PSA | 0.46684 |
| PolarSurfaceArea | 100.96 |
| Druglikeness | -5.08 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde; thio-amide/urea |
| Shape Index | 0.6875 |
| Fragments | 1 |
| Non HAtoms | 16 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 2 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 5 |
| StereoCon |
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1 - [(Z)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]thiourea | 2 - [(Z)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]thiourea
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