(4Z)-1-phenyl-4-[(1-phenylpyrrol-2-yl)methylidene]pyrazolidine-3,5-dione
Formula:C20H15N3O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(4Z)-1-phenyl-4-[(1-phenylpyrrol-2-yl)methylidene]pyrazolidine-3,5-dione is a drug-like molecule.
| MolName | (4Z)-1-phenyl-4-[(1-phenylpyrrol-2-yl)methylidene]pyrazolidine-3,5-dione |
| MolecularFormula | C20H15N3O2 |
| Smiles | O=C(/C(/C1=O)=C/c2cccn2-c2ccccc2)NN1c1ccccc1 |
| InChI | InChI=1S/C20H15N3O2/c24-19-18(20(25)23(21-19)16-10-5-2-6-11-16)14-17-12-7-13-22(17)15-8-3-1-4-9-15/h1-14H,(H,21,24) |
| InChIK | RKYBPWVUCCYQMH-UHFFFAOYSA-N |
| TotalMolweight | 329.358 |
| Molweight | 329.358 |
| MonoisotopicMass | 329.116427 |
| CLogP | 1.5825 |
| CLogS | -5.227 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 250.45 |
| Relative PSA | 0.1915 |
| PolarSurfaceArea | 54.34 |
| Druglikeness | 4.6568 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | twice activated DB |
| Shape Index | 0.56 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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