N-[(2Z)-2-hydroxyiminocyclopentyl]-2-oxo-2-thiophen-2-ylethanimine oxide
Formula:C11H12N2O3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(2Z)-2-hydroxyiminocyclopentyl]-2-oxo-2-thiophen-2-ylethanimine oxide is a drug-like molecule.
| MolName | N-[(2Z)-2-hydroxyiminocyclopentyl]-2-oxo-2-thiophen-2-ylethanimine oxide |
| MolecularFormula | C11H12N2O3S |
| Smiles | [O-]/[N+](/C(CCC1)/C1=N\O)=C\C(c1cccs1)=O |
| InChI | InChI=1S/C11H12N2O3S/c14-10(11-5-2-6-17-11)7-13(16)9-4-1-3-8(9)12-15/h2,5-7,9,15H,1,3-4H2/b12-8-,13-7?/t9-/m0/s1 |
| InChIK | AXIDGLVVMCXZTF-KGKZQSPQSA-N |
| TotalMolweight | 252.293 |
| Molweight | 252.293 |
| MonoisotopicMass | 252.056863 |
| CLogP | 1.1091 |
| CLogS | -1.186 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 187.18 |
| Relative PSA | 0.40277 |
| PolarSurfaceArea | 106.65 |
| Druglikeness | -2.908 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | nitrone |
| Shape Index | 0.58824 |
| Fragments | 1 |
| Non HAtoms | 17 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| StereoCenters | 1 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 5 |
| Sp3Atoms | 6 |
| AcidicOxygens | 1 |
| StereoCon | racemate |
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