(4Z)-4-[(4-bromophenyl)-hydroxymethylidene]-5-(4-chlorophenyl)-1-(2-hydroxyethyl)pyrrolidine-2,3-dione
Formula:C19H15NO4BrCl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
(4Z)-4-[(4-bromophenyl)-hydroxymethylidene]-5-(4-chlorophenyl)-1-(2-hydroxyethyl)pyrrolidine-2,3-dione is a drug-like molecule.
| MolName | (4Z)-4-[(4-bromophenyl)-hydroxymethylidene]-5-(4-chlorophenyl)-1-(2-hydroxyethyl)pyrrolidine-2,3-dione |
| MolecularFormula | C19H15NO4BrCl |
| Smiles | OCCN(C(/C(/C1=O)=C(\c(cc2)ccc2Br)/O)c(cc2)ccc2Cl)C1=O |
| InChI | InChI=1S/C19H15BrClNO4/c20-13-5-1-12(2-6-13)17(24)15-16(11-3-7-14(21)8-4-11)22(9-10-23)19(26)18(15)25/h1-8,16,23-24H,9-10H2/t16-/m1/s1 |
| InChIK | YTORSKHEHFAGIP-MRXNPFEDSA-N |
| TotalMolweight | 436.688 |
| Molweight | 436.688 |
| MonoisotopicMass | 434.987297 |
| CLogP | 2.7499 |
| CLogS | -3.511 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 275.01 |
| Relative PSA | 0.20301 |
| PolarSurfaceArea | 77.84 |
| Druglikeness | -1.0626 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| StereoCenters | 1 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 5 |
| Symmetricatoms | 4 |
| Amides | 1 |
| StereoCon | racemate |
Click to Load Molecule:
1 - (4Z)-4-[(4-bromophenyl)-hydroxymethylidene]-5-(4-chlorophenyl)-1-(2-hydroxyethyl)pyrrolidine-2,3-dione | 2 - (4Z)-4-[(4-bromophenyl)-hydroxymethylidene]-5-(4-chlorophenyl)-1-(2-hydroxyethyl)pyrrolidine-2,3-dione
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off