(4Z)-2-(4-bromophenyl)-4-[(4-bromophenyl)methylidene]-5-phenylpyrazol-3-one
Formula:C22H14N2OBr2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(4Z)-2-(4-bromophenyl)-4-[(4-bromophenyl)methylidene]-5-phenylpyrazol-3-one is not a drug-like molecule.
| MolName | (4Z)-2-(4-bromophenyl)-4-[(4-bromophenyl)methylidene]-5-phenylpyrazol-3-one |
| MolecularFormula | C22H14N2OBr2 |
| Smiles | O=C(/C1=C\c(cc2)ccc2Br)N(c(cc2)ccc2Br)N=C1c1ccccc1 |
| InChI | InChI=1S/C22H14Br2N2O/c23-17-8-6-15(7-9-17)14-20-21(16-4-2-1-3-5-16)25-26(22(20)27)19-12-10-18(24)11-13-19/h1-14H |
| InChIK | BXUXGMBDGZQVQM-UHFFFAOYSA-N |
| TotalMolweight | 482.174 |
| Molweight | 482.174 |
| MonoisotopicMass | 479.947285 |
| CLogP | 6.2372 |
| CLogS | -6.499 |
| H Acceptors | 3 |
| TotalSurfaceArea | 292.27 |
| Relative PSA | 0.096144 |
| PolarSurfaceArea | 32.67 |
| Druglikeness | 2.4724 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | twice activated DB |
| Shape Index | 0.51852 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Symmetricatoms | 6 |
| StereoCon |
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