(4E)-4-[(4-hydroxyphenyl)hydrazinylidene]-5-methylidene-2-phenylpyrazolidin-3-one
Formula:C16H14N4O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(4E)-4-[(4-hydroxyphenyl)hydrazinylidene]-5-methylidene-2-phenylpyrazolidin-3-one is a drug-like molecule.
| MolName | (4E)-4-[(4-hydroxyphenyl)hydrazinylidene]-5-methylidene-2-phenylpyrazolidin-3-one |
| MolecularFormula | C16H14N4O2 |
| Smiles | C=C(/C(/C1=O)=N\Nc(cc2)ccc2O)NN1c1ccccc1 |
| InChI | InChI=1S/C16H14N4O2/c1-11-15(18-17-12-7-9-14(21)10-8-12)16(22)20(19-11)13-5-3-2-4-6-13/h2-10,17,19,21H,1H2 |
| InChIK | NRPNDJWQMDYTNL-UHFFFAOYSA-N |
| TotalMolweight | 294.313 |
| Molweight | 294.313 |
| MonoisotopicMass | 294.111676 |
| CLogP | 2.8364 |
| CLogS | -2.726 |
| H Acceptors | 6 |
| H Donors | 3 |
| TotalSurfaceArea | 222.56 |
| Relative PSA | 0.2881 |
| PolarSurfaceArea | 76.96 |
| Druglikeness | 1.615 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.63636 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| StereoCon |
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