(4Z)-1-phenyl-4-[(2-phenylsulfanylphenyl)methylidene]pyrazolidine-3,5-dione
Formula:C22H16N2O2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(4Z)-1-phenyl-4-[(2-phenylsulfanylphenyl)methylidene]pyrazolidine-3,5-dione is a drug-like molecule.
| MolName | (4Z)-1-phenyl-4-[(2-phenylsulfanylphenyl)methylidene]pyrazolidine-3,5-dione |
| MolecularFormula | C22H16N2O2S |
| Smiles | O=C(/C(/C1=O)=C/c(cccc2)c2Sc2ccccc2)NN1c1ccccc1 |
| InChI | InChI=1S/C22H16N2O2S/c25-21-19(22(26)24(23-21)17-10-3-1-4-11-17)15-16-9-7-8-14-20(16)27-18-12-5-2-6-13-18/h1-15H,(H,23,25) |
| InChIK | CPYVYKZDEXJACE-UHFFFAOYSA-N |
| TotalMolweight | 372.447 |
| Molweight | 372.447 |
| MonoisotopicMass | 372.093248 |
| CLogP | 3.1647 |
| CLogS | -4.676 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 278.74 |
| Relative PSA | 0.21016 |
| PolarSurfaceArea | 74.71 |
| Druglikeness | 4.369 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | twice activated DB |
| Shape Index | 0.55556 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| StereoCon |
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