(4Z)-5-(1,2-dihydroxyethyl)-3-hydroxy-4-hydroxyiminooxolan-2-one
Formula:C6H9NO6
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(4Z)-5-(1,2-dihydroxyethyl)-3-hydroxy-4-hydroxyiminooxolan-2-one is a drug-like molecule.
| MolName | (4Z)-5-(1,2-dihydroxyethyl)-3-hydroxy-4-hydroxyiminooxolan-2-one |
| MolecularFormula | C6H9NO6 |
| Smiles | OCC(C(/C(/C1O)=N\O)OC1=O)O |
| InChI | InChI=1S/C6H9NO6/c8-1-2(9)5-3(7-12)4(10)6(11)13-5/h2,4-5,8-10,12H,1H2 |
| InChIK | CFSJSCNRKOSTIL-UHFFFAOYSA-N |
| TotalMolweight | 191.138 |
| Molweight | 191.138 |
| MonoisotopicMass | 191.042989 |
| CLogP | -2.1287 |
| CLogS | -0.343 |
| H Acceptors | 7 |
| H Donors | 4 |
| TotalSurfaceArea | 127.38 |
| Relative PSA | 0.6826 |
| PolarSurfaceArea | 119.58 |
| Druglikeness | -1.5035 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.53846 |
| Fragments | 1 |
| Non HAtoms | 13 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| StereoCenters | 3 |
| Rotatable Bond | 2 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Sp3Atoms | 9 |
| StereoCon | unknown chirality |
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