(4Z)-4-[(5-bromo-2-phenylmethoxyphenyl)methylidene]-2,5-diphenylpyrazol-3-one
Formula:C29H21N2O2Br
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
(4Z)-4-[(5-bromo-2-phenylmethoxyphenyl)methylidene]-2,5-diphenylpyrazol-3-one is not a drug-like molecule.
| MolName | (4Z)-4-[(5-bromo-2-phenylmethoxyphenyl)methylidene]-2,5-diphenylpyrazol-3-one |
| MolecularFormula | C29H21N2O2Br |
| Smiles | O=C(/C1=C\c(cc(cc2)Br)c2OCc2ccccc2)N(c2ccccc2)N=C1c1ccccc1 |
| InChI | InChI=1S/C29H21BrN2O2/c30-24-16-17-27(34-20-21-10-4-1-5-11-21)23(18-24)19-26-28(22-12-6-2-7-13-22)31-32(29(26)33)25-14-8-3-9-15-25/h1-19H,20H2 |
| InChIK | PNQLTSBNCYGRJR-UHFFFAOYSA-N |
| TotalMolweight | 509.402 |
| Molweight | 509.402 |
| MonoisotopicMass | 508.078639 |
| CLogP | 6.8601 |
| CLogS | -7.006 |
| H Acceptors | 4 |
| TotalSurfaceArea | 357.16 |
| Relative PSA | 0.10667 |
| PolarSurfaceArea | 41.9 |
| Druglikeness | 2.1807 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | twice activated DB |
| Shape Index | 0.47059 |
| Fragments | 1 |
| Non HAtoms | 34 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 6 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 24 |
| Sp3Atoms | 2 |
| Symmetricatoms | 6 |
| StereoCon |
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