[(Z)-(2,6-dichlorophenyl)methylideneamino] 2,5-dichlorothiophene-3-carboxylate
Formula:C12H5NO2Cl4S
Mutagenic:high
Tumorigenic:none
Reproductive Effective:low
[(Z)-(2,6-dichlorophenyl)methylideneamino] 2,5-dichlorothiophene-3-carboxylate is not a drug-like molecule.
| MolName | [(Z)-(2,6-dichlorophenyl)methylideneamino] 2,5-dichlorothiophene-3-carboxylate |
| MolecularFormula | C12H5NO2Cl4S |
| Smiles | O=C(c(cc(s1)Cl)c1Cl)O/N=C\c(c(Cl)ccc1)c1Cl |
| InChI | InChI=1S/C12H5Cl4NO2S/c13-8-2-1-3-9(14)7(8)5-17-19-12(18)6-4-10(15)20-11(6)16/h1-5H |
| InChIK | YQORULNYALDKSU-UHFFFAOYSA-N |
| TotalMolweight | 369.055 |
| Molweight | 369.055 |
| MonoisotopicMass | 366.879507 |
| CLogP | 6.5359 |
| CLogS | -6.649 |
| H Acceptors | 3 |
| TotalSurfaceArea | 243.15 |
| Relative PSA | 0.22583 |
| PolarSurfaceArea | 66.9 |
| Druglikeness | -1.6488 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | 3-halo-enone |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 1 |
| Symmetricatoms | 3 |
| StereoCon |
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