N-[(Z)-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methylideneamino]benzamide
Formula:C23H17N4OF
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methylideneamino]benzamide is a drug-like molecule.
| MolName | N-[(Z)-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methylideneamino]benzamide |
| MolecularFormula | C23H17N4OF |
| Smiles | O=C(c1ccccc1)N/N=C\c1cn(-c2ccccc2)nc1-c(cc1)ccc1F |
| InChI | InChI=1S/C23H17FN4O/c24-20-13-11-17(12-14-20)22-19(16-28(27-22)21-9-5-2-6-10-21)15-25-26-23(29)18-7-3-1-4-8-18/h1-16H,(H,26,29) |
| InChIK | GSYUITSQGQZUOY-UHFFFAOYSA-N |
| TotalMolweight | 384.413 |
| Molweight | 384.413 |
| MonoisotopicMass | 384.138639 |
| CLogP | 4.2214 |
| CLogS | -5.548 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 300.82 |
| Relative PSA | 0.17901 |
| PolarSurfaceArea | 59.28 |
| Druglikeness | 4.5721 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.51724 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 23 |
| Symmetricatoms | 6 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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