[(E)-(2-oxo-1-phenylindol-3-ylidene)amino] 3-(trifluoromethyl)benzoate
Formula:C22H13N2O3F3
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
[(E)-(2-oxo-1-phenylindol-3-ylidene)amino] 3-(trifluoromethyl)benzoate is not a drug-like molecule.
| MolName | [(E)-(2-oxo-1-phenylindol-3-ylidene)amino] 3-(trifluoromethyl)benzoate |
| MolecularFormula | C22H13N2O3F3 |
| Smiles | O=C(c1cccc(C(F)(F)F)c1)O/N=C(\c(cccc1)c1N1c2ccccc2)/C1=O |
| InChI | InChI=1S/C22H13F3N2O3/c23-22(24,25)15-8-6-7-14(13-15)21(29)30-26-19-17-11-4-5-12-18(17)27(20(19)28)16-9-2-1-3-10-16/h1-13H |
| InChIK | KDQVCWRDSBFQEF-UHFFFAOYSA-N |
| TotalMolweight | 410.35 |
| Molweight | 410.35 |
| MonoisotopicMass | 410.087827 |
| CLogP | 5.5664 |
| CLogS | -6.793 |
| H Acceptors | 5 |
| TotalSurfaceArea | 287.51 |
| Relative PSA | 0.17787 |
| PolarSurfaceArea | 58.97 |
| Druglikeness | -6.353 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.5 |
| 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 | 4 |
| Amides | 1 |
| StereoCon |
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