[(E)-[1-[(4-chlorophenyl)methyl]-2-oxoindol-3-ylidene]amino] 2,2-dichloroacetate
Formula:C17H11N2O3Cl3
Mutagenic:high
Tumorigenic:high
Reproductive Effective:high
[(E)-[1-[(4-chlorophenyl)methyl]-2-oxoindol-3-ylidene]amino] 2,2-dichloroacetate is a drug-like molecule.
| MolName | [(E)-[1-[(4-chlorophenyl)methyl]-2-oxoindol-3-ylidene]amino] 2,2-dichloroacetate |
| MolecularFormula | C17H11N2O3Cl3 |
| Smiles | O=C(C(Cl)Cl)O/N=C(\c(cccc1)c1N1Cc(cc2)ccc2Cl)/C1=O |
| InChI | InChI=1S/C17H11Cl3N2O3/c18-11-7-5-10(6-8-11)9-22-13-4-2-1-3-12(13)14(16(22)23)21-25-17(24)15(19)20/h1-8,15H,9H2 |
| InChIK | MXJUIVHZBZZEBV-UHFFFAOYSA-N |
| TotalMolweight | 397.644 |
| Molweight | 397.644 |
| MonoisotopicMass | 395.983524 |
| CLogP | 4.1134 |
| CLogS | -5.582 |
| H Acceptors | 5 |
| TotalSurfaceArea | 270.81 |
| Relative PSA | 0.18884 |
| PolarSurfaceArea | 58.97 |
| Druglikeness | -1.4161 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.56 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Symmetricatoms | 3 |
| Amides | 1 |
| StereoCon |
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1 - [(E)-[1-[(4-chlorophenyl)methyl]-2-oxoindol-3-ylidene]amino] 2,2-dichloroacetate | 2 - [(E)-[1-[(4-chlorophenyl)methyl]-2-oxoindol-3-ylidene]amino] 2,2-dichloroacetate
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