[(E)-(2,6-dichloropyridin-4-yl)methylideneamino]thiourea
Formula:C7H6N4Cl2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[(E)-(2,6-dichloropyridin-4-yl)methylideneamino]thiourea is a drug-like molecule.
| MolName | [(E)-(2,6-dichloropyridin-4-yl)methylideneamino]thiourea |
| MolecularFormula | C7H6N4Cl2S |
| Smiles | NC(N/N=C/c1cc(Cl)nc(Cl)c1)=S |
| InChI | InChI=1S/C7H6Cl2N4S/c8-5-1-4(2-6(9)12-5)3-11-13-7(10)14/h1-3H,(H3,10,13,14) |
| InChIK | WJEWKFYBIVCFIA-UHFFFAOYSA-N |
| TotalMolweight | 249.125 |
| Molweight | 249.125 |
| MonoisotopicMass | 247.96902 |
| CLogP | 1.9379 |
| CLogS | -3.101 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 180.31 |
| Relative PSA | 0.42821 |
| PolarSurfaceArea | 95.39 |
| Druglikeness | 2.3 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde; thio-amide/urea |
| Shape Index | 0.64286 |
| Fragments | 1 |
| Non HAtoms | 14 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 2 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 1 |
| Symmetricatoms | 3 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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