3-chloro-N-[(Z)-[(2Z)-2-(phenylhydrazinylidene)ethylidene]amino]-1-benzothiophene-2-carboxamide
Formula:C17H13N4OClS
Mutagenic:high
Tumorigenic:high
Reproductive Effective:low
3-chloro-N-[(Z)-[(2Z)-2-(phenylhydrazinylidene)ethylidene]amino]-1-benzothiophene-2-carboxamide is not a drug-like molecule.
| MolName | 3-chloro-N-[(Z)-[(2Z)-2-(phenylhydrazinylidene)ethylidene]amino]-1-benzothiophene-2-carboxamide |
| MolecularFormula | C17H13N4OClS |
| Smiles | O=C(c(sc1c2cccc1)c2Cl)N/N=C\C=N/Nc1ccccc1 |
| InChI | InChI=1S/C17H13ClN4OS/c18-15-13-8-4-5-9-14(13)24-16(15)17(23)22-20-11-10-19-21-12-6-2-1-3-7-12/h1-11,21H,(H,22,23) |
| InChIK | AXCAJLXPOZVUDT-UHFFFAOYSA-N |
| TotalMolweight | 356.836 |
| Molweight | 356.836 |
| MonoisotopicMass | 356.049858 |
| CLogP | 5.0831 |
| CLogS | -5.475 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 269.17 |
| Relative PSA | 0.29476 |
| PolarSurfaceArea | 94.09 |
| Druglikeness | 5.6013 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde; 3-halo-enone |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Symmetricatoms | 2 |
| StereoCon |
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1 - 3-chloro-N-[(Z)-[(2Z)-2-(phenylhydrazinylidene)ethylidene]amino]-1-benzothiophene-2-carboxamide | 2 - 3-chloro-N-[(Z)-[(2Z)-2-(phenylhydrazinylidene)ethylidene]amino]-1-benzothiophene-2-carboxamide
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