1-(5-nitrothiophen-2-yl)-N-phenylmethanimine oxide
Formula:C11H8N2O3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
1-(5-nitrothiophen-2-yl)-N-phenylmethanimine oxide is a drug-like molecule.
| MolName | 1-(5-nitrothiophen-2-yl)-N-phenylmethanimine oxide |
| MolecularFormula | C11H8N2O3S |
| Smiles | [O-]/[N+](/c1ccccc1)=C\c1ccc([N+]([O-])=O)s1 |
| InChI | InChI=1S/C11H8N2O3S/c14-12(9-4-2-1-3-5-9)8-10-6-7-11(17-10)13(15)16/h1-8H |
| InChIK | VVYSQCRELNPVFC-UHFFFAOYSA-N |
| TotalMolweight | 248.262 |
| Molweight | 248.262 |
| MonoisotopicMass | 248.025563 |
| CLogP | 2.1504 |
| CLogS | -4.248 |
| H Acceptors | 5 |
| TotalSurfaceArea | 183.26 |
| Relative PSA | 0.37193 |
| PolarSurfaceArea | 102.81 |
| Druglikeness | -4.5596 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; nitrone |
| Shape Index | 0.64706 |
| Fragments | 1 |
| Non HAtoms | 17 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| AcidicOxygens | 2 |
| StereoCon |
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