[(E)-(2-oxo-1-phenylindol-3-ylidene)amino] 2,6-difluorobenzoate
Formula:C21H12N2O3F2
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
[(E)-(2-oxo-1-phenylindol-3-ylidene)amino] 2,6-difluorobenzoate is a drug-like molecule.
| MolName | [(E)-(2-oxo-1-phenylindol-3-ylidene)amino] 2,6-difluorobenzoate |
| MolecularFormula | C21H12N2O3F2 |
| Smiles | O=C(c(c(F)ccc1)c1F)O/N=C(\c(cccc1)c1N1c2ccccc2)/C1=O |
| InChI | InChI=1S/C21H12F2N2O3/c22-15-10-6-11-16(23)18(15)21(27)28-24-19-14-9-4-5-12-17(14)25(20(19)26)13-7-2-1-3-8-13/h1-12H |
| InChIK | KCBBWHFDXPPNQG-UHFFFAOYSA-N |
| TotalMolweight | 378.333 |
| Molweight | 378.333 |
| MonoisotopicMass | 378.081599 |
| CLogP | 4.9197 |
| CLogS | -6.643 |
| H Acceptors | 5 |
| TotalSurfaceArea | 270.75 |
| Relative PSA | 0.18888 |
| PolarSurfaceArea | 58.97 |
| Druglikeness | -0.50301 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 1 |
| Symmetricatoms | 5 |
| Amides | 1 |
| StereoCon |
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1 - [(E)-(2-oxo-1-phenylindol-3-ylidene)amino] 2,6-difluorobenzoate | 2 - [(E)-(2-oxo-1-phenylindol-3-ylidene)amino] 2,6-difluorobenzoate
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