N-[(3R,4E)-4-hydroxyimino-3-(hydroxymethyl)thiolan-3-yl]benzamide
Formula:C12H14N2O3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(3R,4E)-4-hydroxyimino-3-(hydroxymethyl)thiolan-3-yl]benzamide is a drug-like molecule.
| MolName | N-[(3R,4E)-4-hydroxyimino-3-(hydroxymethyl)thiolan-3-yl]benzamide |
| MolecularFormula | C12H14N2O3S |
| Smiles | OC[C@@](CSC1)(/C1=N\O)NC(c1ccccc1)=O |
| InChI | InChI=1S/C12H14N2O3S/c15-7-12(8-18-6-10(12)14-17)13-11(16)9-4-2-1-3-5-9/h1-5,15,17H,6-8H2,(H,13,16)/t12-/m1/s1 |
| InChIK | MDLLYEJZODOWNH-GFCCVEGCSA-N |
| TotalMolweight | 266.32 |
| Molweight | 266.32 |
| MonoisotopicMass | 266.072513 |
| CLogP | 0.8393 |
| CLogS | -2.351 |
| H Acceptors | 5 |
| H Donors | 3 |
| TotalSurfaceArea | 193.82 |
| Relative PSA | 0.41121 |
| PolarSurfaceArea | 107.22 |
| Druglikeness | 2.5901 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.55556 |
| Fragments | 1 |
| Non HAtoms | 18 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| StereoCenters | 1 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 7 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon | this enantiomer |
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