N'-hydroxy-2,3-dihydro-1,4-benzodioxine-3-carboximidamide
Formula:C9H10N2O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N'-hydroxy-2,3-dihydro-1,4-benzodioxine-3-carboximidamide is a drug-like molecule.
| MolName | N'-hydroxy-2,3-dihydro-1,4-benzodioxine-3-carboximidamide |
| MolecularFormula | C9H10N2O3 |
| Smiles | N/C(/C1Oc(cccc2)c2OC1)=N\O |
| InChI | InChI=1S/C9H10N2O3/c10-9(11-12)8-5-13-6-3-1-2-4-7(6)14-8/h1-4,8,12H,5H2,(H2,10,11)/t8-/m0/s1 |
| InChIK | AINNARSDQRBELY-QMMMGPOBSA-N |
| TotalMolweight | 194.189 |
| Molweight | 194.189 |
| MonoisotopicMass | 194.069143 |
| CLogP | 0.9104 |
| CLogS | -2.102 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 143.86 |
| Relative PSA | 0.41624 |
| PolarSurfaceArea | 77.07 |
| Druglikeness | -0.97944 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.64286 |
| Fragments | 1 |
| Non HAtoms | 14 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| StereoCenters | 1 |
| Rotatable Bond | 1 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 5 |
| StereoCon | racemate |
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1 - N'-hydroxy-2,3-dihydro-1,4-benzodioxine-3-carboximidamide | 2 - N'-hydroxy-2,3-dihydro-1,4-benzodioxine-3-carboximidamide
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