| MolName | [(E)-[5-chloro-1-[(3,4-dichlorophenyl)methyl]-2-oxoindol-3-ylidene]amino] 2,2-dichloroacetate |
| MolecularFormula | C17H9N2O3Cl5 |
| Smiles | O=C(C(Cl)Cl)O/N=C(\c(cc(cc1)Cl)c1N1Cc(cc2)cc(Cl)c2Cl)/C1=O |
| InChI | InChI=1S/C17H9Cl5N2O3/c18-9-2-4-13-10(6-9)14(23-27-17(26)15(21)22)16(25)24(13)7-8-1-3-11(19)12(20)5-8/h1-6,15H,7H2 |
| InChIK | KGSXWPRWQYGBLW-UHFFFAOYSA-N |
| TotalMolweight | 466.534 |
| Molweight | 466.534 |
| MonoisotopicMass | 463.905578 |
| CLogP | 5.3254 |
| CLogS | -7.054 |
| H Acceptors | 5 |
| TotalSurfaceArea | 301.65 |
| Relative PSA | 0.16953 |
| PolarSurfaceArea | 58.97 |
| Druglikeness | -1.4161 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.51852 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Symmetricatoms | 1 |
| Amides | 1 |
| StereoCon |
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1 - [(E)-[5-chloro-1-[(3,4-dichlorophenyl)methyl]-2-oxoindol-3-ylidene]amino] 2,2-dichloroacetate | 2 - [(E)-[5-chloro-1-[(3,4-dichlorophenyl)methyl]-2-oxoindol-3-ylidene]amino] 2,2-dichloroacetate