(4E)-4-hydroxy-1,6-dioxo-1-phenyldeca-4,9-diene-5-diazonium
Formula:C16H17N2O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(4E)-4-hydroxy-1,6-dioxo-1-phenyldeca-4,9-diene-5-diazonium is a drug-like molecule.
| MolName | (4E)-4-hydroxy-1,6-dioxo-1-phenyldeca-4,9-diene-5-diazonium |
| MolecularFormula | C16H17N2O3 |
| Smiles | C=CCCC(/C(/[N+]#N)=C(/CCC(c1ccccc1)=O)\O)=O |
| InChI | InChI=1S/C16H16N2O3/c1-2-3-9-14(20)16(18-17)15(21)11-10-13(19)12-7-5-4-6-8-12/h2,4-8H,1,3,9-11H2/p+1 |
| InChIK | CXZMPLLVNLLUQT-UHFFFAOYSA-O |
| TotalMolweight | 285.322 |
| Molweight | 285.322 |
| MonoisotopicMass | 285.123918 |
| CLogP | 3.4168 |
| CLogS | -3.791 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 242.18 |
| Relative PSA | 0.29111 |
| PolarSurfaceArea | 82.52 |
| Druglikeness | -7.1655 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 8 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 5 |
| Symmetricatoms | 2 |
| StereoCon |
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