(1S,3R,4R,5Z)-1,3,4-trihydroxy-5-hydroxyiminocyclohexane-1-carboxylic acid
Formula:C7H11NO6
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(1S,3R,4R,5Z)-1,3,4-trihydroxy-5-hydroxyiminocyclohexane-1-carboxylic acid is a drug-like molecule.
| MolName | (1S,3R,4R,5Z)-1,3,4-trihydroxy-5-hydroxyiminocyclohexane-1-carboxylic acid |
| MolecularFormula | C7H11NO6 |
| Smiles | O[C@H](C[C@@](C/C1=N/O)(C(O)=O)O)[C@@H]1O |
| InChI | InChI=1S/C7H11NO6/c9-4-2-7(13,6(11)12)1-3(8-14)5(4)10/h4-5,9-10,13-14H,1-2H2,(H,11,12)/t4-,5-,7-/m0/s1 |
| InChIK | WASIBXJFRXJWAR-VPLCAKHXSA-N |
| TotalMolweight | 205.165 |
| Molweight | 205.165 |
| MonoisotopicMass | 205.058639 |
| CLogP | -1.5696 |
| CLogS | -0.564 |
| H Acceptors | 7 |
| H Donors | 5 |
| TotalSurfaceArea | 135.4 |
| Relative PSA | 0.66507 |
| PolarSurfaceArea | 130.58 |
| Druglikeness | 0.65757 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 14 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| StereoCenters | 3 |
| Rotatable Bond | 1 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Sp3Atoms | 10 |
| AcidicOxygens | 1 |
| StereoCon | this enantiomer |
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1 - (1S,3R,4R,5Z)-1,3,4-trihydroxy-5-hydroxyiminocyclohexane-1-carboxylic acid | 2 - (1S,3R,4R,5Z)-1,3,4-trihydroxy-5-hydroxyiminocyclohexane-1-carboxylic acid
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