(3Z)-1-(4-chlorophenyl)-3-[(4-fluoroanilino)methylidene]pyrrolidin-2-one
Formula:C17H14N2OClF
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(3Z)-1-(4-chlorophenyl)-3-[(4-fluoroanilino)methylidene]pyrrolidin-2-one is a drug-like molecule.
| MolName | (3Z)-1-(4-chlorophenyl)-3-[(4-fluoroanilino)methylidene]pyrrolidin-2-one |
| MolecularFormula | C17H14N2OClF |
| Smiles | O=C(/C(/CC1)=C\Nc(cc2)ccc2F)N1c(cc1)ccc1Cl |
| InChI | InChI=1S/C17H14ClFN2O/c18-13-1-7-16(8-2-13)21-10-9-12(17(21)22)11-20-15-5-3-14(19)4-6-15/h1-8,11,20H,9-10H2 |
| InChIK | WOGUHSICVOPWHB-UHFFFAOYSA-N |
| TotalMolweight | 316.762 |
| Molweight | 316.762 |
| MonoisotopicMass | 316.077868 |
| CLogP | 3.2091 |
| CLogS | -4.71 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 233.03 |
| Relative PSA | 0.12037 |
| PolarSurfaceArea | 32.34 |
| Druglikeness | 3.2183 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.68182 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| Amides | 1 |
| StereoCon |
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