3-chloro-N-[(Z)-naphthalen-1-ylmethylideneamino]-1-benzothiophene-2-carboxamide
Formula:C20H13N2OClS
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
3-chloro-N-[(Z)-naphthalen-1-ylmethylideneamino]-1-benzothiophene-2-carboxamide is not a drug-like molecule.
| MolName | 3-chloro-N-[(Z)-naphthalen-1-ylmethylideneamino]-1-benzothiophene-2-carboxamide |
| MolecularFormula | C20H13N2OClS |
| Smiles | O=C(c(sc1c2cccc1)c2Cl)N/N=C\c1cccc2ccccc12 |
| InChI | InChI=1S/C20H13ClN2OS/c21-18-16-10-3-4-11-17(16)25-19(18)20(24)23-22-12-14-8-5-7-13-6-1-2-9-15(13)14/h1-12H,(H,23,24) |
| InChIK | UFMVHGHTOQGITE-UHFFFAOYSA-N |
| TotalMolweight | 364.855 |
| Molweight | 364.855 |
| MonoisotopicMass | 364.04371 |
| CLogP | 5.9232 |
| CLogS | -7.412 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 267.55 |
| Relative PSA | 0.21069 |
| PolarSurfaceArea | 69.7 |
| Druglikeness | 5.6013 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde; 3-halo-enone |
| Shape Index | 0.56 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 19 |
| StereoCon |
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