N-[(Z)-benzylideneamino]-5-(trifluoromethoxy)-1H-indole-2-carboxamide
Formula:C17H12N3O2F3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-benzylideneamino]-5-(trifluoromethoxy)-1H-indole-2-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-benzylideneamino]-5-(trifluoromethoxy)-1H-indole-2-carboxamide |
| MolecularFormula | C17H12N3O2F3 |
| Smiles | O=C(c1cc(cc(cc2)OC(F)(F)F)c2[nH]1)N/N=C\c1ccccc1 |
| InChI | InChI=1S/C17H12F3N3O2/c18-17(19,20)25-13-6-7-14-12(8-13)9-15(22-14)16(24)23-21-10-11-4-2-1-3-5-11/h1-10,22H,(H,23,24) |
| InChIK | LQKFGPRFQAUDBN-UHFFFAOYSA-N |
| TotalMolweight | 347.295 |
| Molweight | 347.295 |
| MonoisotopicMass | 347.088161 |
| CLogP | 4.394 |
| CLogS | -5.293 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 250.62 |
| Relative PSA | 0.23941 |
| PolarSurfaceArea | 66.48 |
| Druglikeness | -2.4967 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.64 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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