[(E)-[1-(4-chlorobenzoyl)-2-oxoindol-3-ylidene]amino] 4-chlorobenzoate
Formula:C22H12N2O4Cl2
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
[(E)-[1-(4-chlorobenzoyl)-2-oxoindol-3-ylidene]amino] 4-chlorobenzoate is not a drug-like molecule.
| MolName | [(E)-[1-(4-chlorobenzoyl)-2-oxoindol-3-ylidene]amino] 4-chlorobenzoate |
| MolecularFormula | C22H12N2O4Cl2 |
| Smiles | O=C(c(cc1)ccc1Cl)N(c(cccc1)c1/C1=N\OC(c(cc2)ccc2Cl)=O)C1=O |
| InChI | InChI=1S/C22H12Cl2N2O4/c23-15-9-5-13(6-10-15)20(27)26-18-4-2-1-3-17(18)19(21(26)28)25-30-22(29)14-7-11-16(24)12-8-14/h1-12H |
| InChIK | KWPTXSVZPDKZJL-UHFFFAOYSA-N |
| TotalMolweight | 439.253 |
| Molweight | 439.253 |
| MonoisotopicMass | 438.017412 |
| CLogP | 5.6141 |
| CLogS | -6.919 |
| H Acceptors | 6 |
| TotalSurfaceArea | 306.64 |
| Relative PSA | 0.2093 |
| PolarSurfaceArea | 76.04 |
| Druglikeness | 0.88311 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.56667 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| Amides | 1 |
| StereoCon |
Click to Load Molecule:
1 - [(E)-[1-(4-chlorobenzoyl)-2-oxoindol-3-ylidene]amino] 4-chlorobenzoate | 2 - [(E)-[1-(4-chlorobenzoyl)-2-oxoindol-3-ylidene]amino] 4-chlorobenzoate
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