[(E)-[2-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]indol-3-ylidene]amino] 3-(trifluoromethyl)benzoate
Formula:C24H14N2O3F6
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
[(E)-[2-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]indol-3-ylidene]amino] 3-(trifluoromethyl)benzoate is not a drug-like molecule.
| MolName | [(E)-[2-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]indol-3-ylidene]amino] 3-(trifluoromethyl)benzoate |
| MolecularFormula | C24H14N2O3F6 |
| Smiles | O=C(c1cccc(C(F)(F)F)c1)O/N=C(\c(cccc1)c1N1Cc2cc(C(F)(F)F)ccc2)/C1=O |
| InChI | InChI=1S/C24H14F6N2O3/c25-23(26,27)16-7-3-5-14(11-16)13-32-19-10-2-1-9-18(19)20(21(32)33)31-35-22(34)15-6-4-8-17(12-15)24(28,29)30/h1-12H,13H2 |
| InChIK | QEVITVSIPWFQSX-UHFFFAOYSA-N |
| TotalMolweight | 492.374 |
| Molweight | 492.374 |
| MonoisotopicMass | 492.090861 |
| CLogP | 6.0163 |
| CLogS | -6.874 |
| H Acceptors | 5 |
| TotalSurfaceArea | 330.73 |
| Relative PSA | 0.15463 |
| PolarSurfaceArea | 58.97 |
| Druglikeness | -5.2568 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.48571 |
| Fragments | 1 |
| Non HAtoms | 35 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| Rotatable Bond | 7 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 4 |
| Symmetricatoms | 4 |
| Amides | 1 |
| StereoCon |
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1 - [(E)-[2-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]indol-3-ylidene]amino] 3-(trifluoromethyl)benzoate | 2 - [(E)-[2-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]indol-3-ylidene]amino] 3-(trifluoromethyl)benzoate
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