| MolName | [(Z)-[5-chloro-1-[(3,4-dichlorophenyl)methyl]-2-oxoindol-3-ylidene]amino] 3-chloropropanoate |
| MolecularFormula | C18H12N2O3Cl4 |
| Smiles | O=C(CCCl)O/N=C(/c(cc(cc1)Cl)c1N1Cc(cc2)cc(Cl)c2Cl)\C1=O |
| InChI | InChI=1S/C18H12Cl4N2O3/c19-6-5-16(25)27-23-17-12-8-11(20)2-4-15(12)24(18(17)26)9-10-1-3-13(21)14(22)7-10/h1-4,7-8H,5-6,9H2 |
| InChIK | URHIXYZCUFKWPM-UHFFFAOYSA-N |
| TotalMolweight | 446.116 |
| Molweight | 446.116 |
| MonoisotopicMass | 443.960201 |
| CLogP | 5.3776 |
| CLogS | -7.027 |
| H Acceptors | 5 |
| TotalSurfaceArea | 301.25 |
| Relative PSA | 0.16976 |
| PolarSurfaceArea | 58.97 |
| Druglikeness | -1.3357 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.55556 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 4 |
| Amides | 1 |
| StereoCon |
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1 - [(Z)-[5-chloro-1-[(3,4-dichlorophenyl)methyl]-2-oxoindol-3-ylidene]amino] 3-chloropropanoate | 2 - [(Z)-[5-chloro-1-[(3,4-dichlorophenyl)methyl]-2-oxoindol-3-ylidene]amino] 3-chloropropanoate