[(Z)-(2-aminophenyl)methylideneamino]thiourea
Formula:C8H10N4S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[(Z)-(2-aminophenyl)methylideneamino]thiourea is a drug-like molecule.
| MolName | [(Z)-(2-aminophenyl)methylideneamino]thiourea |
| MolecularFormula | C8H10N4S |
| Smiles | NC(N/N=C\c(cccc1)c1N)=S |
| InChI | InChI=1S/C8H10N4S/c9-7-4-2-1-3-6(7)5-11-12-8(10)13/h1-5H,9H2,(H3,10,12,13) |
| InChIK | KHXMGEJTGIXRRR-UHFFFAOYSA-N |
| TotalMolweight | 194.261 |
| Molweight | 194.261 |
| MonoisotopicMass | 194.062616 |
| CLogP | 0.8547 |
| CLogS | -2.974 |
| H Acceptors | 4 |
| H Donors | 3 |
| TotalSurfaceArea | 159.23 |
| Relative PSA | 0.5119 |
| PolarSurfaceArea | 108.52 |
| Druglikeness | 2.2769 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde; thio-amide/urea |
| Shape Index | 0.69231 |
| Fragments | 1 |
| Non HAtoms | 13 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 2 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 1 |
| Amines | 1 |
| Aromatic Amines | 1 |
| StereoCon |
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