(3E)-3-[(2,6-dichlorophenyl)methoxyimino]-1-[[3-(trifluoromethyl)phenyl]methyl]indol-2-one
Formula:C23H15N2O2Cl2F3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(3E)-3-[(2,6-dichlorophenyl)methoxyimino]-1-[[3-(trifluoromethyl)phenyl]methyl]indol-2-one is not a drug-like molecule.
| MolName | (3E)-3-[(2,6-dichlorophenyl)methoxyimino]-1-[[3-(trifluoromethyl)phenyl]methyl]indol-2-one |
| MolecularFormula | C23H15N2O2Cl2F3 |
| Smiles | O=C1N(Cc2cc(C(F)(F)F)ccc2)c(cccc2)c2/C1=N\OCc(c(Cl)ccc1)c1Cl |
| InChI | InChI=1S/C23H15Cl2F3N2O2/c24-18-8-4-9-19(25)17(18)13-32-29-21-16-7-1-2-10-20(16)30(22(21)31)12-14-5-3-6-15(11-14)23(26,27)28/h1-11H,12-13H2 |
| InChIK | OKSDMTIFOKWYTQ-UHFFFAOYSA-N |
| TotalMolweight | 479.284 |
| Molweight | 479.284 |
| MonoisotopicMass | 478.046266 |
| CLogP | 6.2976 |
| CLogS | -7.439 |
| H Acceptors | 4 |
| TotalSurfaceArea | 328.12 |
| Relative PSA | 0.11612 |
| PolarSurfaceArea | 41.9 |
| Druglikeness | -1.7666 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 4 |
| Symmetricatoms | 5 |
| Amides | 1 |
| StereoCon |
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1 - (3E)-3-[(2,6-dichlorophenyl)methoxyimino]-1-[[3-(trifluoromethyl)phenyl]methyl]indol-2-one | 2 - (3E)-3-[(2,6-dichlorophenyl)methoxyimino]-1-[[3-(trifluoromethyl)phenyl]methyl]indol-2-one
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