5-(trifluoromethoxy)-N-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]-1H-indole-2-carboxamide
Formula:C18H11N3O2F6
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
5-(trifluoromethoxy)-N-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]-1H-indole-2-carboxamide is not a drug-like molecule.
| MolName | 5-(trifluoromethoxy)-N-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]-1H-indole-2-carboxamide |
| MolecularFormula | C18H11N3O2F6 |
| Smiles | O=C(c1cc(cc(cc2)OC(F)(F)F)c2[nH]1)N/N=C\c1ccc(C(F)(F)F)cc1 |
| InChI | InChI=1S/C18H11F6N3O2/c19-17(20,21)12-3-1-10(2-4-12)9-25-27-16(28)15-8-11-7-13(29-18(22,23)24)5-6-14(11)26-15/h1-9,26H,(H,27,28) |
| InChIK | MVWGPEJIYOLEHV-UHFFFAOYSA-N |
| TotalMolweight | 415.292 |
| Molweight | 415.292 |
| MonoisotopicMass | 415.075545 |
| CLogP | 5.2423 |
| CLogS | -6.071 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 280.08 |
| Relative PSA | 0.21422 |
| PolarSurfaceArea | 66.48 |
| Druglikeness | -5.2267 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.62069 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Sp3Atoms | 3 |
| Symmetricatoms | 6 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - 5-(trifluoromethoxy)-N-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]-1H-indole-2-carboxamide | 2 - 5-(trifluoromethoxy)-N-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]-1H-indole-2-carboxamide
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