[(E)-[amino-(2,3-dichlorophenyl)methylidene]amino] 2,2-dichloroacetate
Formula:C9H6N2O2Cl4
Mutagenic:high
Tumorigenic:high
Reproductive Effective:high
[(E)-[amino-(2,3-dichlorophenyl)methylidene]amino] 2,2-dichloroacetate is a drug-like molecule.
| MolName | [(E)-[amino-(2,3-dichlorophenyl)methylidene]amino] 2,2-dichloroacetate |
| MolecularFormula | C9H6N2O2Cl4 |
| Smiles | N/C(/c1cccc(Cl)c1Cl)=N/OC(C(Cl)Cl)=O |
| InChI | InChI=1S/C9H6Cl4N2O2/c10-5-3-1-2-4(6(5)11)8(14)15-17-9(16)7(12)13/h1-3,7H,(H2,14,15) |
| InChIK | OZENVOOQXSMRMH-UHFFFAOYSA-N |
| TotalMolweight | 315.971 |
| Molweight | 315.971 |
| MonoisotopicMass | 313.918336 |
| CLogP | 3.4718 |
| CLogS | -4.536 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 206.68 |
| Relative PSA | 0.24105 |
| PolarSurfaceArea | 64.68 |
| Druglikeness | -5.8415 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.58824 |
| Fragments | 1 |
| Non HAtoms | 17 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 4 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 2 |
| Symmetricatoms | 1 |
| StereoCon |
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1 - [(E)-[amino-(2,3-dichlorophenyl)methylidene]amino] 2,2-dichloroacetate | 2 - [(E)-[amino-(2,3-dichlorophenyl)methylidene]amino] 2,2-dichloroacetate
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