benzyl N'-[(Z)-thiophen-2-ylmethylideneamino]carbamimidothioate
Formula:C13H13N3S2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
benzyl N'-[(Z)-thiophen-2-ylmethylideneamino]carbamimidothioate is a drug-like molecule.
| MolName | benzyl N'-[(Z)-thiophen-2-ylmethylideneamino]carbamimidothioate |
| MolecularFormula | C13H13N3S2 |
| Smiles | N/C(/SCc1ccccc1)=N/N=C\c1cccs1 |
| InChI | InChI=1S/C13H13N3S2/c14-13(16-15-9-12-7-4-8-17-12)18-10-11-5-2-1-3-6-11/h1-9H,10H2,(H2,14,16) |
| InChIK | XGCZPUCSUQAHMB-UHFFFAOYSA-N |
| TotalMolweight | 275.399 |
| Molweight | 275.399 |
| MonoisotopicMass | 275.055087 |
| CLogP | 4.4573 |
| CLogS | -5.126 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 216.46 |
| Relative PSA | 0.35175 |
| PolarSurfaceArea | 104.28 |
| Druglikeness | 3.6082 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | dimethylene-hydrazine; imine/hydrazone of aldehyde |
| Shape Index | 0.72222 |
| Fragments | 1 |
| Non HAtoms | 18 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| StereoCon |
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