(E)-2-hydroxy-5-oxo-5-(N-phenylanilino)pent-1-ene-1-diazonium
Formula:C17H16N3O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-2-hydroxy-5-oxo-5-(N-phenylanilino)pent-1-ene-1-diazonium is a drug-like molecule.
| MolName | (E)-2-hydroxy-5-oxo-5-(N-phenylanilino)pent-1-ene-1-diazonium |
| MolecularFormula | C17H16N3O2 |
| Smiles | N#[N+]/C=C(\CCC(N(c1ccccc1)c1ccccc1)=O)/O |
| InChI | InChI=1S/C17H15N3O2/c18-19-13-16(21)11-12-17(22)20(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-10,13H,11-12H2/p+1 |
| InChIK | LAYBFXZXWBFUQG-UHFFFAOYSA-O |
| TotalMolweight | 294.333 |
| Molweight | 294.333 |
| MonoisotopicMass | 294.124252 |
| CLogP | 2.37 |
| CLogS | -4.518 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 244.22 |
| Relative PSA | 0.24982 |
| PolarSurfaceArea | 68.69 |
| Druglikeness | -1.2584 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.54545 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Symmetricatoms | 8 |
| Amides | 1 |
| StereoCon |
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