(4Z)-4-[(3-fluoro-4-pyrrolidin-1-ylphenyl)methylidene]-1-phenylpyrazolidine-3,5-dione
Formula:C20H18N3O2F
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(4Z)-4-[(3-fluoro-4-pyrrolidin-1-ylphenyl)methylidene]-1-phenylpyrazolidine-3,5-dione is a drug-like molecule.
| MolName | (4Z)-4-[(3-fluoro-4-pyrrolidin-1-ylphenyl)methylidene]-1-phenylpyrazolidine-3,5-dione |
| MolecularFormula | C20H18N3O2F |
| Smiles | O=C(/C(/C1=O)=C/c(cc2)cc(F)c2N2CCCC2)NN1c1ccccc1 |
| InChI | InChI=1S/C20H18FN3O2/c21-17-13-14(8-9-18(17)23-10-4-5-11-23)12-16-19(25)22-24(20(16)26)15-6-2-1-3-7-15/h1-3,6-9,12-13H,4-5,10-11H2,(H,22,25) |
| InChIK | RHBGPBHNGHMFRI-UHFFFAOYSA-N |
| TotalMolweight | 351.38 |
| Molweight | 351.38 |
| MonoisotopicMass | 351.138305 |
| CLogP | 1.9354 |
| CLogS | -3.926 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 259.68 |
| Relative PSA | 0.1719 |
| PolarSurfaceArea | 52.65 |
| Druglikeness | 3.9967 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | twice activated DB |
| Shape Index | 0.57692 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 5 |
| Symmetricatoms | 4 |
| Amines | 1 |
| Aromatic Amines | 1 |
| StereoCon |
Click to Load Molecule:
1 - (4Z)-4-[(3-fluoro-4-pyrrolidin-1-ylphenyl)methylidene]-1-phenylpyrazolidine-3,5-dione | 2 - (4Z)-4-[(3-fluoro-4-pyrrolidin-1-ylphenyl)methylidene]-1-phenylpyrazolidine-3,5-dione
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off