| MolName | N-(4-fluorophenyl)-2-[3-[(Z)-1,2,4-triazol-4-yliminomethyl]indol-1-yl]acetamide |
| MolecularFormula | C19H15N6OF |
| Smiles | O=C(Cn1c(cccc2)c2c(/C=N\n2cnnc2)c1)Nc(cc1)ccc1F |
| InChI | InChI=1S/C19H15FN6O/c20-15-5-7-16(8-6-15)24-19(27)11-25-10-14(9-23-26-12-21-22-13-26)17-3-1-2-4-18(17)25/h1-10,12-13H,11H2,(H,24,27) |
| InChIK | MRGSRDNZNGJPTL-UHFFFAOYSA-N |
| TotalMolweight | 362.367 |
| Molweight | 362.367 |
| MonoisotopicMass | 362.129137 |
| CLogP | 2.1434 |
| CLogS | -5.791 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 277.38 |
| Relative PSA | 0.25845 |
| PolarSurfaceArea | 77.1 |
| Druglikeness | 4.8616 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.59259 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 20 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| Amides | 1 |
| Aromatic Nitrogens | 4 |
| StereoCon |
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1 - N-(4-fluorophenyl)-2-[3-[(Z)-1,2,4-triazol-4-yliminomethyl]indol-1-yl]acetamide | 2 - N-(4-fluorophenyl)-2-[3-[(Z)-1,2,4-triazol-4-yliminomethyl]indol-1-yl]acetamide