[(Z)-(5-phenyl-1,2,4-oxadiazol-3-yl)methylideneamino]thiourea
Formula:C10H9N5OS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[(Z)-(5-phenyl-1,2,4-oxadiazol-3-yl)methylideneamino]thiourea is a drug-like molecule.
| MolName | [(Z)-(5-phenyl-1,2,4-oxadiazol-3-yl)methylideneamino]thiourea |
| MolecularFormula | C10H9N5OS |
| Smiles | NC(N/N=C\c1noc(-c2ccccc2)n1)=S |
| InChI | InChI=1S/C10H9N5OS/c11-10(17)14-12-6-8-13-9(16-15-8)7-4-2-1-3-5-7/h1-6H,(H3,11,14,17) |
| InChIK | UTSYLNWKVHKJRC-UHFFFAOYSA-N |
| TotalMolweight | 247.281 |
| Molweight | 247.281 |
| MonoisotopicMass | 247.05278 |
| CLogP | 1.3511 |
| CLogS | -3.801 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 197.68 |
| Relative PSA | 0.51745 |
| PolarSurfaceArea | 121.42 |
| Druglikeness | 3.6082 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde; thio-amide/urea |
| Shape Index | 0.70588 |
| Fragments | 1 |
| Non HAtoms | 17 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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