(1Z,2R,4Z)-1,4-bis(hydroxyimino)butan-2-ol
Formula:C4H8N2O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(1Z,2R,4Z)-1,4-bis(hydroxyimino)butan-2-ol is a drug-like molecule.
| MolName | (1Z,2R,4Z)-1,4-bis(hydroxyimino)butan-2-ol |
| MolecularFormula | C4H8N2O3 |
| Smiles | O[C@H](C/C=N\O)/C=N\O |
| InChI | InChI=1S/C4H8N2O3/c7-4(3-6-9)1-2-5-8/h2-4,7-9H,1H2/t4-/m1/s1 |
| InChIK | QQXAFCDPTBXRHG-SCSAIBSYSA-N |
| TotalMolweight | 132.119 |
| Molweight | 132.119 |
| MonoisotopicMass | 132.053493 |
| CLogP | -0.171 |
| CLogS | -1.291 |
| H Acceptors | 5 |
| H Donors | 3 |
| TotalSurfaceArea | 108.33 |
| Relative PSA | 0.57528 |
| PolarSurfaceArea | 85.41 |
| Druglikeness | 0.28362 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.88889 |
| Fragments | 1 |
| Non HAtoms | 9 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| StereoCenters | 1 |
| Rotatable Bond | 3 |
| Sp3Atoms | 5 |
| StereoCon | this enantiomer |
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1 - (1Z,2R,4Z)-1,4-bis(hydroxyimino)butan-2-ol | 2 - (1Z,2R,4Z)-1,4-bis(hydroxyimino)butan-2-ol
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