3,6-dichloro-N-[(Z)-thiophen-2-ylmethylideneamino]-1-benzothiophene-2-carboxamide
Formula:C14H8N2OCl2S2
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
3,6-dichloro-N-[(Z)-thiophen-2-ylmethylideneamino]-1-benzothiophene-2-carboxamide is not a drug-like molecule.
| MolName | 3,6-dichloro-N-[(Z)-thiophen-2-ylmethylideneamino]-1-benzothiophene-2-carboxamide |
| MolecularFormula | C14H8N2OCl2S2 |
| Smiles | O=C(c(sc1c2ccc(Cl)c1)c2Cl)N/N=C\c1cccs1 |
| InChI | InChI=1S/C14H8Cl2N2OS2/c15-8-3-4-10-11(6-8)21-13(12(10)16)14(19)18-17-7-9-2-1-5-20-9/h1-7H,(H,18,19) |
| InChIK | YDXSEHYWJIEYFQ-UHFFFAOYSA-N |
| TotalMolweight | 355.269 |
| Molweight | 355.269 |
| MonoisotopicMass | 353.945507 |
| CLogP | 5.2014 |
| CLogS | -6.552 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 244.31 |
| Relative PSA | 0.31407 |
| PolarSurfaceArea | 97.94 |
| Druglikeness | 6.1968 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde; 3-halo-enone |
| Shape Index | 0.61905 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 14 |
| StereoCon |
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