(3E)-3-hydrazinylidene-4-oxo-2,5-diphenylhexanedinitrile
Formula:C18H14N4O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
(3E)-3-hydrazinylidene-4-oxo-2,5-diphenylhexanedinitrile is a drug-like molecule.
| MolName | (3E)-3-hydrazinylidene-4-oxo-2,5-diphenylhexanedinitrile |
| MolecularFormula | C18H14N4O |
| Smiles | N/N=C(\C(c1ccccc1)C#N)/C(C(c1ccccc1)C#N)=O |
| InChI | InChI=1S/C18H14N4O/c19-11-15(13-7-3-1-4-8-13)17(22-21)18(23)16(12-20)14-9-5-2-6-10-14/h1-10,15-16H,21H2 |
| InChIK | WPAFLQXYBZWZOR-UHFFFAOYSA-N |
| TotalMolweight | 302.336 |
| Molweight | 302.336 |
| MonoisotopicMass | 302.116761 |
| CLogP | 1.9839 |
| CLogS | -4.583 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 250.68 |
| Relative PSA | 0.26703 |
| PolarSurfaceArea | 103.03 |
| Druglikeness | -5.3607 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.52174 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| StereoCenters | 2 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| StereoCon | unknown chirality |
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1 - (3E)-3-hydrazinylidene-4-oxo-2,5-diphenylhexanedinitrile | 2 - (3E)-3-hydrazinylidene-4-oxo-2,5-diphenylhexanedinitrile
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