N-[(4E)-4-hydroxyiminothiolan-3-yl]benzamide
Formula:C11H12N2O2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(4E)-4-hydroxyiminothiolan-3-yl]benzamide is a drug-like molecule.
| MolName | N-[(4E)-4-hydroxyiminothiolan-3-yl]benzamide |
| MolecularFormula | C11H12N2O2S |
| Smiles | O/N=C(/CSC1)\C1NC(c1ccccc1)=O |
| InChI | InChI=1S/C11H12N2O2S/c14-11(8-4-2-1-3-5-8)12-9-6-16-7-10(9)13-15/h1-5,9,15H,6-7H2,(H,12,14)/t9-/m1/s1 |
| InChIK | JOEJVVSLZQCOBM-SECBINFHSA-N |
| TotalMolweight | 236.294 |
| Molweight | 236.294 |
| MonoisotopicMass | 236.061948 |
| CLogP | 1.468 |
| CLogS | -2.749 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 175.8 |
| Relative PSA | 0.37884 |
| PolarSurfaceArea | 86.99 |
| Druglikeness | 2.0981 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.625 |
| Fragments | 1 |
| Non HAtoms | 16 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| StereoCenters | 1 |
| Rotatable Bond | 2 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 5 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon | racemate |
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