| MolName | [(E)-[1-[(2,4-dichlorophenyl)methyl]-2-oxoindol-3-ylidene]amino] 4-chlorobutanoate |
| MolecularFormula | C19H15N2O3Cl3 |
| Smiles | O=C(CCCCl)O/N=C(\c(cccc1)c1N1Cc(ccc(Cl)c2)c2Cl)/C1=O |
| InChI | InChI=1S/C19H15Cl3N2O3/c20-9-3-6-17(25)27-23-18-14-4-1-2-5-16(14)24(19(18)26)11-12-7-8-13(21)10-15(12)22/h1-2,4-5,7-8,10H,3,6,9,11H2 |
| InChIK | JVYSZPGLAQFWAX-UHFFFAOYSA-N |
| TotalMolweight | 425.698 |
| Molweight | 425.698 |
| MonoisotopicMass | 424.014824 |
| CLogP | 5.226 |
| CLogS | -6.561 |
| H Acceptors | 5 |
| TotalSurfaceArea | 299.59 |
| Relative PSA | 0.1707 |
| PolarSurfaceArea | 58.97 |
| Druglikeness | -6.0448 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.59259 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 5 |
| Amides | 1 |
| StereoCon |
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1 - [(E)-[1-[(2,4-dichlorophenyl)methyl]-2-oxoindol-3-ylidene]amino] 4-chlorobutanoate | 2 - [(E)-[1-[(2,4-dichlorophenyl)methyl]-2-oxoindol-3-ylidene]amino] 4-chlorobutanoate