[(E)-benzylideneamino]thiourea
Formula:C8H9N3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[(E)-benzylideneamino]thiourea is a drug-like molecule.
| MolName | [(E)-benzylideneamino]thiourea |
| MolecularFormula | C8H9N3S |
| Smiles | NC(N/N=C/c1ccccc1)=S |
| InChI | InChI=1S/C8H9N3S/c9-8(12)11-10-6-7-4-2-1-3-5-7/h1-6H,(H3,9,11,12) |
| InChIK | UYHCMAZIKNVDSX-UHFFFAOYSA-N |
| TotalMolweight | 179.246 |
| Molweight | 179.246 |
| MonoisotopicMass | 179.051717 |
| CLogP | 1.532 |
| CLogS | -2.898 |
| H Acceptors | 3 |
| H Donors | 2 |
| TotalSurfaceArea | 150.71 |
| Relative PSA | 0.43952 |
| PolarSurfaceArea | 82.5 |
| 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 | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 2 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| StereoCon |
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