3-chloro-N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-1-benzothiophene-2-carboxamide
Formula:C16H9N2OCl3S
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
3-chloro-N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-1-benzothiophene-2-carboxamide is not a drug-like molecule.
| MolName | 3-chloro-N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-1-benzothiophene-2-carboxamide |
| MolecularFormula | C16H9N2OCl3S |
| Smiles | O=C(c(sc1c2cccc1)c2Cl)N/N=C\c(ccc(Cl)c1)c1Cl |
| InChI | InChI=1S/C16H9Cl3N2OS/c17-10-6-5-9(12(18)7-10)8-20-21-16(22)15-14(19)11-3-1-2-4-13(11)23-15/h1-8H,(H,21,22) |
| InChIK | VJAMDMXBVBKQPE-UHFFFAOYSA-N |
| TotalMolweight | 383.685 |
| Molweight | 383.685 |
| MonoisotopicMass | 381.950114 |
| CLogP | 5.9408 |
| CLogS | -7.278 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 263.79 |
| Relative PSA | 0.21369 |
| PolarSurfaceArea | 69.7 |
| 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 | 0.6087 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| StereoCon |
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