(4E)-4-(1,3-benzodioxol-5-ylhydrazinylidene)-5-methylidene-2-phenylpyrazolidin-3-one
Formula:C17H14N4O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(4E)-4-(1,3-benzodioxol-5-ylhydrazinylidene)-5-methylidene-2-phenylpyrazolidin-3-one is a drug-like molecule.
| MolName | (4E)-4-(1,3-benzodioxol-5-ylhydrazinylidene)-5-methylidene-2-phenylpyrazolidin-3-one |
| MolecularFormula | C17H14N4O3 |
| Smiles | C=C(/C(/C1=O)=N\Nc(cc2)cc3c2OCO3)NN1c1ccccc1 |
| InChI | InChI=1S/C17H14N4O3/c1-11-16(17(22)21(20-11)13-5-3-2-4-6-13)19-18-12-7-8-14-15(9-12)24-10-23-14/h2-9,18,20H,1,10H2 |
| InChIK | DLDFDFSNWABPEN-UHFFFAOYSA-N |
| TotalMolweight | 322.323 |
| Molweight | 322.323 |
| MonoisotopicMass | 322.106591 |
| CLogP | 3.2935 |
| CLogS | -3.733 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 236.47 |
| Relative PSA | 0.30033 |
| PolarSurfaceArea | 75.19 |
| Druglikeness | 1.4675 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.58333 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 4 |
| Symmetricatoms | 2 |
| StereoCon |
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