[(E)-[1-(4-fluorobenzoyl)-2-oxoindol-3-ylidene]amino] 4-fluorobenzoate
Formula:C22H12N2O4F2
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
[(E)-[1-(4-fluorobenzoyl)-2-oxoindol-3-ylidene]amino] 4-fluorobenzoate is a drug-like molecule.
| MolName | [(E)-[1-(4-fluorobenzoyl)-2-oxoindol-3-ylidene]amino] 4-fluorobenzoate |
| MolecularFormula | C22H12N2O4F2 |
| Smiles | O=C(c(cc1)ccc1F)N(c(cccc1)c1/C1=N\OC(c(cc2)ccc2F)=O)C1=O |
| InChI | InChI=1S/C22H12F2N2O4/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 | OYNDAHXUGNRKAB-UHFFFAOYSA-N |
| TotalMolweight | 406.343 |
| Molweight | 406.343 |
| MonoisotopicMass | 406.076514 |
| CLogP | 4.6037 |
| CLogS | -6.075 |
| H Acceptors | 6 |
| TotalSurfaceArea | 288.5 |
| Relative PSA | 0.22246 |
| PolarSurfaceArea | 76.04 |
| Druglikeness | -0.50301 |
| 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-fluorobenzoyl)-2-oxoindol-3-ylidene]amino] 4-fluorobenzoate | 2 - [(E)-[1-(4-fluorobenzoyl)-2-oxoindol-3-ylidene]amino] 4-fluorobenzoate
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