[(Z)-(2,4-dichlorophenyl)methylideneamino] 2,3,3-trichloroprop-2-enoate
Formula:C10H4NO2Cl5
Mutagenic:high
Tumorigenic:low
Reproductive Effective:high
[(Z)-(2,4-dichlorophenyl)methylideneamino] 2,3,3-trichloroprop-2-enoate is not a drug-like molecule.
| MolName | [(Z)-(2,4-dichlorophenyl)methylideneamino] 2,3,3-trichloroprop-2-enoate |
| MolecularFormula | C10H4NO2Cl5 |
| Smiles | O=C(C(Cl)=C(Cl)Cl)O/N=C\c(ccc(Cl)c1)c1Cl |
| InChI | InChI=1S/C10H4Cl5NO2/c11-6-2-1-5(7(12)3-6)4-16-18-10(17)8(13)9(14)15/h1-4H |
| InChIK | PDGNJBCDIVGNAX-UHFFFAOYSA-N |
| TotalMolweight | 347.412 |
| Molweight | 347.412 |
| MonoisotopicMass | 344.868464 |
| CLogP | 5.8261 |
| CLogS | -6.013 |
| H Acceptors | 3 |
| TotalSurfaceArea | 225.79 |
| Relative PSA | 0.15302 |
| PolarSurfaceArea | 38.66 |
| Druglikeness | -6.3428 |
| Mutagenic | high |
| Tumorigenic | low |
| Reproductive Effective | high |
| Irritant | high |
| Nasty Functions | polar activated DB; 1,1-dihalo-alkene; 1,2-dihalo-alkene; 2-halo-enone; 3-halo-enone |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 18 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 4 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 1 |
| Symmetricatoms | 1 |
| StereoCon |
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1 - [(Z)-(2,4-dichlorophenyl)methylideneamino] 2,3,3-trichloroprop-2-enoate | 2 - [(Z)-(2,4-dichlorophenyl)methylideneamino] 2,3,3-trichloroprop-2-enoate
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