N'-hydroxy-4-oxo-2,3-dihydrothiochromene-3-carboximidamide
Formula:C10H10N2O2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N'-hydroxy-4-oxo-2,3-dihydrothiochromene-3-carboximidamide is a drug-like molecule.
| MolName | N'-hydroxy-4-oxo-2,3-dihydrothiochromene-3-carboximidamide |
| MolecularFormula | C10H10N2O2S |
| Smiles | N/C(/C(CSc1c2cccc1)C2=O)=N/O |
| InChI | InChI=1S/C10H10N2O2S/c11-10(12-14)7-5-15-8-4-2-1-3-6(8)9(7)13/h1-4,7,14H,5H2,(H2,11,12)/t7-/m0/s1 |
| InChIK | MNPFJQUDCMAKTI-ZETCQYMHSA-N |
| TotalMolweight | 222.267 |
| Molweight | 222.267 |
| MonoisotopicMass | 222.046298 |
| CLogP | 0.5149 |
| CLogS | -3.282 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 159.1 |
| Relative PSA | 0.44255 |
| PolarSurfaceArea | 100.98 |
| Druglikeness | 0.48187 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 15 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| StereoCenters | 1 |
| Rotatable Bond | 1 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 4 |
| StereoCon | racemate |
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