[(E)-[5-chloro-1-[(2,6-dichlorophenyl)methyl]-2-oxoindol-3-ylidene]amino] 4-chlorobutanoate
Formula:C19H14N2O3Cl4
Mutagenic:high
Tumorigenic:high
Reproductive Effective:high
[(E)-[5-chloro-1-[(2,6-dichlorophenyl)methyl]-2-oxoindol-3-ylidene]amino] 4-chlorobutanoate is not a drug-like molecule.
| MolName | [(E)-[5-chloro-1-[(2,6-dichlorophenyl)methyl]-2-oxoindol-3-ylidene]amino] 4-chlorobutanoate |
| MolecularFormula | C19H14N2O3Cl4 |
| Smiles | O=C(CCCCl)O/N=C(\c(cc(cc1)Cl)c1N1Cc(c(Cl)ccc2)c2Cl)/C1=O |
| InChI | InChI=1S/C19H14Cl4N2O3/c20-8-2-5-17(26)28-24-18-12-9-11(21)6-7-16(12)25(19(18)27)10-13-14(22)3-1-4-15(13)23/h1,3-4,6-7,9H,2,5,8,10H2 |
| InChIK | MKOVZROZKDQEDQ-UHFFFAOYSA-N |
| TotalMolweight | 460.143 |
| Molweight | 460.143 |
| MonoisotopicMass | 457.975851 |
| CLogP | 5.832 |
| CLogS | -7.297 |
| H Acceptors | 5 |
| TotalSurfaceArea | 315.01 |
| Relative PSA | 0.16234 |
| PolarSurfaceArea | 58.97 |
| Druglikeness | -6.0448 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.53571 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 5 |
| Symmetricatoms | 3 |
| Amides | 1 |
| StereoCon |
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1 - [(E)-[5-chloro-1-[(2,6-dichlorophenyl)methyl]-2-oxoindol-3-ylidene]amino] 4-chlorobutanoate | 2 - [(E)-[5-chloro-1-[(2,6-dichlorophenyl)methyl]-2-oxoindol-3-ylidene]amino] 4-chlorobutanoate
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