2-[4-[(E)-(3,5-dioxo-1-phenylpyrazolidin-4-ylidene)methyl]phenoxy]acetamide
Formula:C18H15N3O4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[4-[(E)-(3,5-dioxo-1-phenylpyrazolidin-4-ylidene)methyl]phenoxy]acetamide is a drug-like molecule.
| MolName | 2-[4-[(E)-(3,5-dioxo-1-phenylpyrazolidin-4-ylidene)methyl]phenoxy]acetamide |
| MolecularFormula | C18H15N3O4 |
| Smiles | NC(COc1ccc(/C=C(\C(NN2c3ccccc3)=O)/C2=O)cc1)=O |
| InChI | InChI=1S/C18H15N3O4/c19-16(22)11-25-14-8-6-12(7-9-14)10-15-17(23)20-21(18(15)24)13-4-2-1-3-5-13/h1-10H,11H2,(H2,19,22)(H,20,23) |
| InChIK | JXJOZZMFSOASLO-UHFFFAOYSA-N |
| TotalMolweight | 337.334 |
| Molweight | 337.334 |
| MonoisotopicMass | 337.106257 |
| CLogP | 0.0057999 |
| CLogS | -2.759 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 251.52 |
| Relative PSA | 0.31568 |
| PolarSurfaceArea | 101.73 |
| Druglikeness | 4.3781 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | twice activated DB |
| Shape Index | 0.64 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| Amides | 1 |
| StereoCon |
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1 - 2-[4-[(E)-(3,5-dioxo-1-phenylpyrazolidin-4-ylidene)methyl]phenoxy]acetamide | 2 - 2-[4-[(E)-(3,5-dioxo-1-phenylpyrazolidin-4-ylidene)methyl]phenoxy]acetamide
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