3-chloro-N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-6-fluoro-1-benzothiophene-2-carboxamide
Formula:C16H8N2OCl2F2S
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
3-chloro-N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-6-fluoro-1-benzothiophene-2-carboxamide is not a drug-like molecule.
| MolName | 3-chloro-N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-6-fluoro-1-benzothiophene-2-carboxamide |
| MolecularFormula | C16H8N2OCl2F2S |
| Smiles | O=C(c(sc1c2ccc(F)c1)c2Cl)N/N=C\c(c(F)ccc1)c1Cl |
| InChI | InChI=1S/C16H8Cl2F2N2OS/c17-11-2-1-3-12(20)10(11)7-21-22-16(23)15-14(18)9-5-4-8(19)6-13(9)24-15/h1-7H,(H,22,23) |
| InChIK | QFJJVBSBHCVDIA-UHFFFAOYSA-N |
| TotalMolweight | 385.221 |
| Molweight | 385.221 |
| MonoisotopicMass | 383.970243 |
| CLogP | 5.5364 |
| CLogS | -7.17 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 261.07 |
| Relative PSA | 0.21592 |
| 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 | 0.58333 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| StereoCon |
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1 - 3-chloro-N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-6-fluoro-1-benzothiophene-2-carboxamide | 2 - 3-chloro-N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-6-fluoro-1-benzothiophene-2-carboxamide
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