[(E)-[1-[(2,6-dichlorophenyl)methyl]-2-oxoindol-3-ylidene]amino] 4-chlorobenzoate
Formula:C22H13N2O3Cl3
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
[(E)-[1-[(2,6-dichlorophenyl)methyl]-2-oxoindol-3-ylidene]amino] 4-chlorobenzoate is not a drug-like molecule.
| MolName | [(E)-[1-[(2,6-dichlorophenyl)methyl]-2-oxoindol-3-ylidene]amino] 4-chlorobenzoate |
| MolecularFormula | C22H13N2O3Cl3 |
| Smiles | O=C(c(cc1)ccc1Cl)O/N=C(\c(cccc1)c1N1Cc(c(Cl)ccc2)c2Cl)/C1=O |
| InChI | InChI=1S/C22H13Cl3N2O3/c23-14-10-8-13(9-11-14)22(29)30-26-20-15-4-1-2-7-19(15)27(21(20)28)12-16-17(24)5-3-6-18(16)25/h1-11H,12H2 |
| InChIK | MFUPBQNBASNORU-UHFFFAOYSA-N |
| TotalMolweight | 459.715 |
| Molweight | 459.715 |
| MonoisotopicMass | 457.999174 |
| CLogP | 6.1377 |
| CLogS | -7.526 |
| H Acceptors | 5 |
| TotalSurfaceArea | 318.07 |
| Relative PSA | 0.16078 |
| PolarSurfaceArea | 58.97 |
| Druglikeness | 1.9724 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.53333 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 2 |
| Symmetricatoms | 5 |
| Amides | 1 |
| StereoCon |
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1 - [(E)-[1-[(2,6-dichlorophenyl)methyl]-2-oxoindol-3-ylidene]amino] 4-chlorobenzoate | 2 - [(E)-[1-[(2,6-dichlorophenyl)methyl]-2-oxoindol-3-ylidene]amino] 4-chlorobenzoate
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