[(Z)-[5-chloro-1-[(3,4-dichlorophenyl)methyl]-2-oxoindol-3-ylidene]amino] 2-chloroacetate
Formula:C17H10N2O3Cl4
Mutagenic:high
Tumorigenic:high
Reproductive Effective:high
[(Z)-[5-chloro-1-[(3,4-dichlorophenyl)methyl]-2-oxoindol-3-ylidene]amino] 2-chloroacetate is a drug-like molecule.
| MolName | [(Z)-[5-chloro-1-[(3,4-dichlorophenyl)methyl]-2-oxoindol-3-ylidene]amino] 2-chloroacetate |
| MolecularFormula | C17H10N2O3Cl4 |
| Smiles | O=C(CCl)O/N=C(/c(cc(cc1)Cl)c1N1Cc(cc2)cc(Cl)c2Cl)\C1=O |
| InChI | InChI=1S/C17H10Cl4N2O3/c18-7-15(24)26-22-16-11-6-10(19)2-4-14(11)23(17(16)25)8-9-1-3-12(20)13(21)5-9/h1-6H,7-8H2 |
| InChIK | RVKASSIILVXNFJ-UHFFFAOYSA-N |
| TotalMolweight | 432.089 |
| Molweight | 432.089 |
| MonoisotopicMass | 429.944551 |
| CLogP | 4.9232 |
| CLogS | -6.757 |
| H Acceptors | 5 |
| TotalSurfaceArea | 287.49 |
| Relative PSA | 0.17788 |
| PolarSurfaceArea | 58.97 |
| Druglikeness | 0.61 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.53846 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Amides | 1 |
| StereoCon |
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1 - [(Z)-[5-chloro-1-[(3,4-dichlorophenyl)methyl]-2-oxoindol-3-ylidene]amino] 2-chloroacetate | 2 - [(Z)-[5-chloro-1-[(3,4-dichlorophenyl)methyl]-2-oxoindol-3-ylidene]amino] 2-chloroacetate
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