3-bromo-N-[(Z)-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methylideneamino]benzamide
Formula:C23H16N4OBrF
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3-bromo-N-[(Z)-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methylideneamino]benzamide is a drug-like molecule.
| MolName | 3-bromo-N-[(Z)-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methylideneamino]benzamide |
| MolecularFormula | C23H16N4OBrF |
| Smiles | O=C(c1cccc(Br)c1)N/N=C\c1cn(-c2ccccc2)nc1-c(cc1)ccc1F |
| InChI | InChI=1S/C23H16BrFN4O/c24-19-6-4-5-17(13-19)23(30)27-26-14-18-15-29(21-7-2-1-3-8-21)28-22(18)16-9-11-20(25)12-10-16/h1-15H,(H,27,30) |
| InChIK | POWGZZHQQMTDCD-UHFFFAOYSA-N |
| TotalMolweight | 463.309 |
| Molweight | 463.309 |
| MonoisotopicMass | 462.04915 |
| CLogP | 4.9466 |
| CLogS | -6.382 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 319.45 |
| Relative PSA | 0.16857 |
| PolarSurfaceArea | 59.28 |
| Druglikeness | 2.7821 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 23 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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