(4E)-4-(2,3-dihydro-1,4-benzodioxin-6-ylhydrazinylidene)-5-methylidene-2-phenylpyrazolidin-3-one
Formula:C18H16N4O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(4E)-4-(2,3-dihydro-1,4-benzodioxin-6-ylhydrazinylidene)-5-methylidene-2-phenylpyrazolidin-3-one is a drug-like molecule.
| MolName | (4E)-4-(2,3-dihydro-1,4-benzodioxin-6-ylhydrazinylidene)-5-methylidene-2-phenylpyrazolidin-3-one |
| MolecularFormula | C18H16N4O3 |
| Smiles | C=C(/C(/C1=O)=N\Nc(cc2)cc3c2OCCO3)NN1c1ccccc1 |
| InChI | InChI=1S/C18H16N4O3/c1-12-17(18(23)22(21-12)14-5-3-2-4-6-14)20-19-13-7-8-15-16(11-13)25-10-9-24-15/h2-8,11,19,21H,1,9-10H2 |
| InChIK | LAVXEJAFMLNING-UHFFFAOYSA-N |
| TotalMolweight | 336.35 |
| Molweight | 336.35 |
| MonoisotopicMass | 336.122241 |
| CLogP | 3.1609 |
| CLogS | -3.204 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 250.23 |
| Relative PSA | 0.28382 |
| PolarSurfaceArea | 75.19 |
| Druglikeness | -5.6094 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 5 |
| Symmetricatoms | 2 |
| StereoCon |
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1 - (4E)-4-(2,3-dihydro-1,4-benzodioxin-6-ylhydrazinylidene)-5-methylidene-2-phenylpyrazolidin-3-one | 2 - (4E)-4-(2,3-dihydro-1,4-benzodioxin-6-ylhydrazinylidene)-5-methylidene-2-phenylpyrazolidin-3-one
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