(3E)-3-[(4-chlorophenyl)methoxyimino]-1-[[3-(trifluoromethyl)phenyl]methyl]indol-2-one
Formula:C23H16N2O2ClF3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(3E)-3-[(4-chlorophenyl)methoxyimino]-1-[[3-(trifluoromethyl)phenyl]methyl]indol-2-one is not a drug-like molecule.
| MolName | (3E)-3-[(4-chlorophenyl)methoxyimino]-1-[[3-(trifluoromethyl)phenyl]methyl]indol-2-one |
| MolecularFormula | C23H16N2O2ClF3 |
| Smiles | O=C1N(Cc2cc(C(F)(F)F)ccc2)c(cccc2)c2/C1=N\OCc(cc1)ccc1Cl |
| InChI | InChI=1S/C23H16ClF3N2O2/c24-18-10-8-15(9-11-18)14-31-28-21-19-6-1-2-7-20(19)29(22(21)30)13-16-4-3-5-17(12-16)23(25,26)27/h1-12H,13-14H2 |
| InChIK | VZSIOPSNXWQWFN-UHFFFAOYSA-N |
| TotalMolweight | 444.839 |
| Molweight | 444.839 |
| MonoisotopicMass | 444.085239 |
| CLogP | 5.6916 |
| CLogS | -6.703 |
| H Acceptors | 4 |
| TotalSurfaceArea | 312.7 |
| Relative PSA | 0.12184 |
| PolarSurfaceArea | 41.9 |
| Druglikeness | -1.7666 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.54839 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 4 |
| Symmetricatoms | 4 |
| Amides | 1 |
| StereoCon |
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1 - (3E)-3-[(4-chlorophenyl)methoxyimino]-1-[[3-(trifluoromethyl)phenyl]methyl]indol-2-one | 2 - (3E)-3-[(4-chlorophenyl)methoxyimino]-1-[[3-(trifluoromethyl)phenyl]methyl]indol-2-one
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