| MolName | [(E)-[1-(2,4-dichlorobenzoyl)-2-oxoindol-3-ylidene]amino] 2,4-dichlorobenzoate |
| MolecularFormula | C22H10N2O4Cl4 |
| Smiles | O=C(c(ccc(Cl)c1)c1Cl)N(c(cccc1)c1/C1=N\OC(c(ccc(Cl)c2)c2Cl)=O)C1=O |
| InChI | InChI=1S/C22H10Cl4N2O4/c23-11-5-7-13(16(25)9-11)20(29)28-18-4-2-1-3-15(18)19(21(28)30)27-32-22(31)14-8-6-12(24)10-17(14)26/h1-10H |
| InChIK | ZEHONLZJAQLMFS-UHFFFAOYSA-N |
| TotalMolweight | 508.143 |
| Molweight | 508.143 |
| MonoisotopicMass | 505.939466 |
| CLogP | 6.8261 |
| CLogS | -8.391 |
| H Acceptors | 6 |
| TotalSurfaceArea | 337.48 |
| Relative PSA | 0.19017 |
| PolarSurfaceArea | 76.04 |
| Druglikeness | 0.88311 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | low |
| Nasty Functions | |
| Shape Index | 0.53125 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 1 |
| Amides | 1 |
| StereoCon |
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1 - [(E)-[1-(2,4-dichlorobenzoyl)-2-oxoindol-3-ylidene]amino] 2,4-dichlorobenzoate | 2 - [(E)-[1-(2,4-dichlorobenzoyl)-2-oxoindol-3-ylidene]amino] 2,4-dichlorobenzoate