(4E)-5-(3,4-dichlorophenyl)-1-(furan-2-ylmethyl)-4-[hydroxy(pyridin-4-yl)methylidene]pyrrolidine-2,3-dione
Formula:C21H14N2O4Cl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(4E)-5-(3,4-dichlorophenyl)-1-(furan-2-ylmethyl)-4-[hydroxy(pyridin-4-yl)methylidene]pyrrolidine-2,3-dione is a drug-like molecule.
| MolName | (4E)-5-(3,4-dichlorophenyl)-1-(furan-2-ylmethyl)-4-[hydroxy(pyridin-4-yl)methylidene]pyrrolidine-2,3-dione |
| MolecularFormula | C21H14N2O4Cl2 |
| Smiles | O/C(/c1ccncc1)=C(\C(c(cc1)cc(Cl)c1Cl)N(Cc1ccco1)C1=O)/C1=O |
| InChI | InChI=1S/C21H14Cl2N2O4/c22-15-4-3-13(10-16(15)23)18-17(19(26)12-5-7-24-8-6-12)20(27)21(28)25(18)11-14-2-1-9-29-14/h1-10,18,26H,11H2/t18-/m1/s1 |
| InChIK | RGGBYWILYTYKPD-GOSISDBHSA-N |
| TotalMolweight | 429.258 |
| Molweight | 429.258 |
| MonoisotopicMass | 428.033062 |
| CLogP | 2.757 |
| CLogS | -3.83 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 299.9 |
| Relative PSA | 0.22611 |
| PolarSurfaceArea | 83.64 |
| Druglikeness | 0.45882 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.41379 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| StereoCenters | 1 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon | racemate |
Click to Load Molecule:
1 - (4E)-5-(3,4-dichlorophenyl)-1-(furan-2-ylmethyl)-4-[hydroxy(pyridin-4-yl)methylidene]pyrrolidine-2,3-dione | 2 - (4E)-5-(3,4-dichlorophenyl)-1-(furan-2-ylmethyl)-4-[hydroxy(pyridin-4-yl)methylidene]pyrrolidine-2,3-dione
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