(E)-2-(2,3-dihydro-1H-inden-1-yloxy)-2-hydroxyethenediazonium
Formula:C11H11N2O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-2-(2,3-dihydro-1H-inden-1-yloxy)-2-hydroxyethenediazonium is a drug-like molecule.
| MolName | (E)-2-(2,3-dihydro-1H-inden-1-yloxy)-2-hydroxyethenediazonium |
| MolecularFormula | C11H11N2O2 |
| Smiles | N#[N+]/C=C(\O)/OC(CC1)c2c1cccc2 |
| InChI | InChI=1S/C11H10N2O2/c12-13-7-11(14)15-10-6-5-8-3-1-2-4-9(8)10/h1-4,7,10H,5-6H2/p+1/t10-/m0/s1 |
| InChIK | PLOZLBFNVLSYNM-JTQLQIEISA-O |
| TotalMolweight | 203.22 |
| Molweight | 203.22 |
| MonoisotopicMass | 203.082053 |
| CLogP | 1.4935 |
| CLogS | -3.584 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 165.41 |
| Relative PSA | 0.329 |
| PolarSurfaceArea | 57.61 |
| Druglikeness | -3.6799 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 15 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| StereoCenters | 1 |
| Rotatable Bond | 2 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 5 |
| StereoCon | racemate |
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1 - (E)-2-(2,3-dihydro-1H-inden-1-yloxy)-2-hydroxyethenediazonium | 2 - (E)-2-(2,3-dihydro-1H-inden-1-yloxy)-2-hydroxyethenediazonium
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