3-chloro-N-[(Z)-(2,4-difluorophenyl)methylideneamino]-1-benzothiophene-2-carboxamide
Formula:C16H9N2OClF2S
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
3-chloro-N-[(Z)-(2,4-difluorophenyl)methylideneamino]-1-benzothiophene-2-carboxamide is a drug-like molecule.
| MolName | 3-chloro-N-[(Z)-(2,4-difluorophenyl)methylideneamino]-1-benzothiophene-2-carboxamide |
| MolecularFormula | C16H9N2OClF2S |
| Smiles | O=C(c(sc1c2cccc1)c2Cl)N/N=C\c(ccc(F)c1)c1F |
| InChI | InChI=1S/C16H9ClF2N2OS/c17-14-11-3-1-2-4-13(11)23-15(14)16(22)21-20-8-9-5-6-10(18)7-12(9)19/h1-8H,(H,21,22) |
| InChIK | PFXKRLWZBNHJDT-UHFFFAOYSA-N |
| TotalMolweight | 350.775 |
| Molweight | 350.775 |
| MonoisotopicMass | 350.009216 |
| CLogP | 4.9304 |
| CLogS | -6.434 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 245.65 |
| Relative PSA | 0.22947 |
| PolarSurfaceArea | 69.7 |
| Druglikeness | 4.2613 |
| 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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