(E)-2-hydroxy-3-phenylprop-1-ene-1-diazonium
Formula:C9H9N2O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-2-hydroxy-3-phenylprop-1-ene-1-diazonium is a drug-like molecule.
| MolName | (E)-2-hydroxy-3-phenylprop-1-ene-1-diazonium |
| MolecularFormula | C9H9N2O |
| Smiles | N#[N+]/C=C(\Cc1ccccc1)/O |
| InChI | InChI=1S/C9H8N2O/c10-11-7-9(12)6-8-4-2-1-3-5-8/h1-5,7H,6H2/p+1 |
| InChIK | YBFLCCYMUGRHSS-UHFFFAOYSA-O |
| TotalMolweight | 161.183 |
| Molweight | 161.183 |
| MonoisotopicMass | 161.071488 |
| CLogP | 1.6086 |
| CLogS | -2.143 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 142.65 |
| Relative PSA | 0.31139 |
| PolarSurfaceArea | 48.38 |
| Druglikeness | -3.2076 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.75 |
| Fragments | 1 |
| Non HAtoms | 12 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 2 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| StereoCon |
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