N-[(Z)-thiophen-2-ylmethylideneamino]-5-(trifluoromethoxy)-1H-indole-2-carboxamide
Formula:C15H10N3O2F3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-thiophen-2-ylmethylideneamino]-5-(trifluoromethoxy)-1H-indole-2-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-thiophen-2-ylmethylideneamino]-5-(trifluoromethoxy)-1H-indole-2-carboxamide |
| MolecularFormula | C15H10N3O2F3S |
| Smiles | O=C(c1cc(cc(cc2)OC(F)(F)F)c2[nH]1)N/N=C\c1cccs1 |
| InChI | InChI=1S/C15H10F3N3O2S/c16-15(17,18)23-10-3-4-12-9(6-10)7-13(20-12)14(22)21-19-8-11-2-1-5-24-11/h1-8,20H,(H,21,22) |
| InChIK | YRJOLKKLSNDJKO-UHFFFAOYSA-N |
| TotalMolweight | 353.323 |
| Molweight | 353.323 |
| MonoisotopicMass | 353.044581 |
| CLogP | 4.2606 |
| CLogS | -5.303 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 246.56 |
| Relative PSA | 0.32592 |
| PolarSurfaceArea | 94.72 |
| Druglikeness | -1.2359 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.625 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 14 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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