| MolName | [(E)-[amino-(2,4-dichlorophenyl)methylidene]amino] 2,4-dichlorobenzoate |
| MolecularFormula | C14H8N2O2Cl4 |
| Smiles | N/C(/c(ccc(Cl)c1)c1Cl)=N/OC(c(ccc(Cl)c1)c1Cl)=O |
| InChI | InChI=1S/C14H8Cl4N2O2/c15-7-1-3-9(11(17)5-7)13(19)20-22-14(21)10-4-2-8(16)6-12(10)18/h1-6H,(H2,19,20) |
| InChIK | IQALEPIBMDVMAI-UHFFFAOYSA-N |
| TotalMolweight | 378.042 |
| Molweight | 378.042 |
| MonoisotopicMass | 375.933986 |
| CLogP | 5.4961 |
| CLogS | -6.48 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 253.94 |
| Relative PSA | 0.19619 |
| PolarSurfaceArea | 64.68 |
| Druglikeness | -2.6601 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | low |
| Nasty Functions | |
| Shape Index | 0.63636 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| StereoCon |
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1 - [(E)-[amino-(2,4-dichlorophenyl)methylidene]amino] 2,4-dichlorobenzoate | 2 - [(E)-[amino-(2,4-dichlorophenyl)methylidene]amino] 2,4-dichlorobenzoate