(Z)-N-[5-(4-bromophenyl)-2-phenylpyrazol-3-yl]-1-(4-fluoro-3-phenoxyphenyl)methanimine
Formula:C28H19N3OBrF
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(Z)-N-[5-(4-bromophenyl)-2-phenylpyrazol-3-yl]-1-(4-fluoro-3-phenoxyphenyl)methanimine is not a drug-like molecule.
| MolName | (Z)-N-[5-(4-bromophenyl)-2-phenylpyrazol-3-yl]-1-(4-fluoro-3-phenoxyphenyl)methanimine |
| MolecularFormula | C28H19N3OBrF |
| Smiles | Fc(ccc(/C=N\c1cc(-c(cc2)ccc2Br)nn1-c1ccccc1)c1)c1Oc1ccccc1 |
| InChI | InChI=1S/C28H19BrFN3O/c29-22-14-12-21(13-15-22)26-18-28(33(32-26)23-7-3-1-4-8-23)31-19-20-11-16-25(30)27(17-20)34-24-9-5-2-6-10-24/h1-19H |
| InChIK | CAOADUHWVXTZOV-UHFFFAOYSA-N |
| TotalMolweight | 512.381 |
| Molweight | 512.381 |
| MonoisotopicMass | 511.069551 |
| CLogP | 6.5254 |
| CLogS | -8.641 |
| H Acceptors | 4 |
| TotalSurfaceArea | 360 |
| Relative PSA | 0.10931 |
| PolarSurfaceArea | 39.41 |
| Druglikeness | -0.25445 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.52941 |
| Fragments | 1 |
| Non HAtoms | 34 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 6 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 29 |
| Sp3Atoms | 1 |
| Symmetricatoms | 6 |
| Aromatic Nitrogens | 2 |
| StereoCon |
Click to Load Molecule:
1 - (Z)-N-[5-(4-bromophenyl)-2-phenylpyrazol-3-yl]-1-(4-fluoro-3-phenoxyphenyl)methanimine | 2 - (Z)-N-[5-(4-bromophenyl)-2-phenylpyrazol-3-yl]-1-(4-fluoro-3-phenoxyphenyl)methanimine
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off