(2E)-1,2-diphenyl-2-(1-pyridin-4-ylethenylhydrazinylidene)ethanone
Formula:C21H17N3O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(2E)-1,2-diphenyl-2-(1-pyridin-4-ylethenylhydrazinylidene)ethanone is a drug-like molecule.
| MolName | (2E)-1,2-diphenyl-2-(1-pyridin-4-ylethenylhydrazinylidene)ethanone |
| MolecularFormula | C21H17N3O |
| Smiles | C=C(c1ccncc1)N/N=C(/C(c1ccccc1)=O)\c1ccccc1 |
| InChI | InChI=1S/C21H17N3O/c1-16(17-12-14-22-15-13-17)23-24-20(18-8-4-2-5-9-18)21(25)19-10-6-3-7-11-19/h2-15,23H,1H2 |
| InChIK | GUFWMDHBODEKEE-UHFFFAOYSA-N |
| TotalMolweight | 327.386 |
| Molweight | 327.386 |
| MonoisotopicMass | 327.137162 |
| CLogP | 3.2049 |
| CLogS | -4.927 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 266.47 |
| Relative PSA | 0.17631 |
| PolarSurfaceArea | 54.35 |
| Druglikeness | -0.039985 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.52 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Symmetricatoms | 6 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - (2E)-1,2-diphenyl-2-(1-pyridin-4-ylethenylhydrazinylidene)ethanone | 2 - (2E)-1,2-diphenyl-2-(1-pyridin-4-ylethenylhydrazinylidene)ethanone
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