3,6-dichloro-N-[(Z)-pyridin-4-ylmethylideneamino]-1-benzothiophene-2-carboxamide
Formula:C15H9N3OCl2S
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
3,6-dichloro-N-[(Z)-pyridin-4-ylmethylideneamino]-1-benzothiophene-2-carboxamide is a drug-like molecule.
| MolName | 3,6-dichloro-N-[(Z)-pyridin-4-ylmethylideneamino]-1-benzothiophene-2-carboxamide |
| MolecularFormula | C15H9N3OCl2S |
| Smiles | O=C(c(sc1c2ccc(Cl)c1)c2Cl)N/N=C\c1ccncc1 |
| InChI | InChI=1S/C15H9Cl2N3OS/c16-10-1-2-11-12(7-10)22-14(13(11)17)15(21)20-19-8-9-3-5-18-6-4-9/h1-8H,(H,20,21) |
| InChIK | ZZOWIVSAANMEQU-UHFFFAOYSA-N |
| TotalMolweight | 350.228 |
| Molweight | 350.228 |
| MonoisotopicMass | 348.984336 |
| CLogP | 4.3339 |
| CLogS | -5.747 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 247.13 |
| Relative PSA | 0.27249 |
| PolarSurfaceArea | 82.59 |
| Druglikeness | 5.6013 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde; 3-halo-enone |
| Shape Index | 0.63636 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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