| MolName | [(Z)-[5-chloro-2-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]indol-3-ylidene]amino] 2-chloroacetate |
| MolecularFormula | C18H11N2O3Cl2F3 |
| Smiles | O=C(CCl)O/N=C(/c(cc(cc1)Cl)c1N1Cc2cc(C(F)(F)F)ccc2)\C1=O |
| InChI | InChI=1S/C18H11Cl2F3N2O3/c19-8-15(26)28-24-16-13-7-12(20)4-5-14(13)25(17(16)27)9-10-2-1-3-11(6-10)18(21,22)23/h1-7H,8-9H2 |
| InChIK | GPJNWOYDROVPNK-UHFFFAOYSA-N |
| TotalMolweight | 431.196 |
| Molweight | 431.196 |
| MonoisotopicMass | 430.009881 |
| CLogP | 4.5595 |
| CLogS | -6.063 |
| H Acceptors | 5 |
| TotalSurfaceArea | 286.11 |
| Relative PSA | 0.17874 |
| PolarSurfaceArea | 58.97 |
| Druglikeness | -6.58 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 4 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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1 - [(Z)-[5-chloro-2-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]indol-3-ylidene]amino] 2-chloroacetate | 2 - [(Z)-[5-chloro-2-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]indol-3-ylidene]amino] 2-chloroacetate