(4E)-4-[(2-bromophenyl)hydrazinylidene]-5-methylidene-2-phenylpyrazolidin-3-one
Formula:C16H13N4OBr
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(4E)-4-[(2-bromophenyl)hydrazinylidene]-5-methylidene-2-phenylpyrazolidin-3-one is a drug-like molecule.
| MolName | (4E)-4-[(2-bromophenyl)hydrazinylidene]-5-methylidene-2-phenylpyrazolidin-3-one |
| MolecularFormula | C16H13N4OBr |
| Smiles | C=C(/C(/C1=O)=N\Nc(cccc2)c2Br)NN1c1ccccc1 |
| InChI | InChI=1S/C16H13BrN4O/c1-11-15(19-18-14-10-6-5-9-13(14)17)16(22)21(20-11)12-7-3-2-4-8-12/h2-10,18,20H,1H2 |
| InChIK | GCMCRYYMDMJKEQ-UHFFFAOYSA-N |
| TotalMolweight | 357.21 |
| Molweight | 357.21 |
| MonoisotopicMass | 356.027272 |
| CLogP | 3.9073 |
| CLogS | -3.856 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 234.84 |
| Relative PSA | 0.21725 |
| PolarSurfaceArea | 56.73 |
| Druglikeness | -0.14457 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.59091 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| StereoCon |
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