[(Z)-[2-oxo-2-(2,4,5-trichloroanilino)ethylidene]amino] N-(4-chlorophenyl)carbamate
Formula:C15H9N3O3Cl4
Mutagenic:high
Tumorigenic:high
Reproductive Effective:high
[(Z)-[2-oxo-2-(2,4,5-trichloroanilino)ethylidene]amino] N-(4-chlorophenyl)carbamate is a drug-like molecule.
| MolName | [(Z)-[2-oxo-2-(2,4,5-trichloroanilino)ethylidene]amino] N-(4-chlorophenyl)carbamate |
| MolecularFormula | C15H9N3O3Cl4 |
| Smiles | O=C(/C=N\OC(Nc(cc1)ccc1Cl)=O)Nc(c(Cl)c1)cc(Cl)c1Cl |
| InChI | InChI=1S/C15H9Cl4N3O3/c16-8-1-3-9(4-2-8)21-15(24)25-20-7-14(23)22-13-6-11(18)10(17)5-12(13)19/h1-7H,(H,21,24)(H,22,23) |
| InChIK | LFBSXOOTMKPAJG-UHFFFAOYSA-N |
| TotalMolweight | 421.066 |
| Molweight | 421.066 |
| MonoisotopicMass | 418.9398 |
| CLogP | 4.9674 |
| CLogS | -6.957 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 287.88 |
| Relative PSA | 0.24493 |
| PolarSurfaceArea | 79.79 |
| Druglikeness | -5.2614 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | high |
| Nasty Functions | polyhalo aromatic ring |
| Shape Index | 0.68 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Amides | 2 |
| StereoCon |
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1 - [(Z)-[2-oxo-2-(2,4,5-trichloroanilino)ethylidene]amino] N-(4-chlorophenyl)carbamate | 2 - [(Z)-[2-oxo-2-(2,4,5-trichloroanilino)ethylidene]amino] N-(4-chlorophenyl)carbamate
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