(4E)-5-methylidene-4-(naphthalen-2-ylhydrazinylidene)-2-phenylpyrazolidin-3-one
Formula:C20H16N4O
Mutagenic:low
Tumorigenic:high
Reproductive Effective:none
(4E)-5-methylidene-4-(naphthalen-2-ylhydrazinylidene)-2-phenylpyrazolidin-3-one is a drug-like molecule.
| MolName | (4E)-5-methylidene-4-(naphthalen-2-ylhydrazinylidene)-2-phenylpyrazolidin-3-one |
| MolecularFormula | C20H16N4O |
| Smiles | C=C(/C(/C1=O)=N\Nc2cc3ccccc3cc2)NN1c1ccccc1 |
| InChI | InChI=1S/C20H16N4O/c1-14-19(20(25)24(23-14)18-9-3-2-4-10-18)22-21-17-12-11-15-7-5-6-8-16(15)13-17/h2-13,21,23H,1H2 |
| InChIK | PCMCSGZVWWPHJO-UHFFFAOYSA-N |
| TotalMolweight | 328.374 |
| Molweight | 328.374 |
| MonoisotopicMass | 328.132411 |
| CLogP | 4.3765 |
| CLogS | -4.628 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 250.81 |
| Relative PSA | 0.20342 |
| PolarSurfaceArea | 56.73 |
| Druglikeness | 1.6454 |
| Mutagenic | low |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| StereoCon |
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