| MolName | (3Z)-3-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methylidene]-1H-indol-2-one |
| MolecularFormula | C18H12N3OF |
| Smiles | O=C1Nc(cccc2)c2/C1=C/c1c(-c(cc2)ccc2F)[nH]nc1 |
| InChI | InChI=1S/C18H12FN3O/c19-13-7-5-11(6-8-13)17-12(10-20-22-17)9-15-14-3-1-2-4-16(14)21-18(15)23/h1-10H,(H,20,22)(H,21,23) |
| InChIK | IDWQKVGKWZLJDV-UHFFFAOYSA-N |
| TotalMolweight | 305.311 |
| Molweight | 305.311 |
| MonoisotopicMass | 305.09644 |
| CLogP | 2.0103 |
| CLogS | -4.034 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 227.88 |
| Relative PSA | 0.21704 |
| PolarSurfaceArea | 57.78 |
| Druglikeness | 3.6511 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.56522 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 2 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Symmetricatoms | 2 |
| Amides | 1 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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1 - (3Z)-3-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methylidene]-1H-indol-2-one | 2 - (3Z)-3-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methylidene]-1H-indol-2-one