[(E)-[1-[(4-chlorophenyl)methyl]-2-oxoindol-3-ylidene]amino] 2,2,2-trichloroacetate
Formula:C17H10N2O3Cl4
Mutagenic:high
Tumorigenic:low
Reproductive Effective:high
[(E)-[1-[(4-chlorophenyl)methyl]-2-oxoindol-3-ylidene]amino] 2,2,2-trichloroacetate is a drug-like molecule.
| MolName | [(E)-[1-[(4-chlorophenyl)methyl]-2-oxoindol-3-ylidene]amino] 2,2,2-trichloroacetate |
| MolecularFormula | C17H10N2O3Cl4 |
| Smiles | O=C(C(Cl)(Cl)Cl)O/N=C(\c(cccc1)c1N1Cc(cc2)ccc2Cl)/C1=O |
| InChI | InChI=1S/C17H10Cl4N2O3/c18-11-7-5-10(6-8-11)9-23-13-4-2-1-3-12(13)14(15(23)24)22-26-16(25)17(19,20)21/h1-8H,9H2 |
| InChIK | GMWQDBGMERIMHM-UHFFFAOYSA-N |
| TotalMolweight | 432.089 |
| Molweight | 432.089 |
| MonoisotopicMass | 429.944551 |
| CLogP | 4.9264 |
| CLogS | -6.085 |
| H Acceptors | 5 |
| TotalSurfaceArea | 284.14 |
| Relative PSA | 0.17998 |
| PolarSurfaceArea | 58.97 |
| Druglikeness | -7.6069 |
| Mutagenic | high |
| Tumorigenic | low |
| Reproductive Effective | high |
| Irritant | high |
| 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 |
| Symmetricatoms | 4 |
| Amides | 1 |
| StereoCon |
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1 - [(E)-[1-[(4-chlorophenyl)methyl]-2-oxoindol-3-ylidene]amino] 2,2,2-trichloroacetate | 2 - [(E)-[1-[(4-chlorophenyl)methyl]-2-oxoindol-3-ylidene]amino] 2,2,2-trichloroacetate
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