(NE)-N-[(2-nitrophenyl)-thiophen-2-ylmethylidene]hydroxylamine
Formula:C11H8N2O3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(NE)-N-[(2-nitrophenyl)-thiophen-2-ylmethylidene]hydroxylamine is a drug-like molecule.
| MolName | (NE)-N-[(2-nitrophenyl)-thiophen-2-ylmethylidene]hydroxylamine |
| MolecularFormula | C11H8N2O3S |
| Smiles | [O-][N+](c(cccc1)c1/C(/c1cccs1)=N\O)=O |
| InChI | InChI=1S/C11H8N2O3S/c14-12-11(10-6-3-7-17-10)8-4-1-2-5-9(8)13(15)16/h1-7,14H |
| InChIK | OXCYUXIKMYUSHQ-UHFFFAOYSA-N |
| TotalMolweight | 248.262 |
| Molweight | 248.262 |
| MonoisotopicMass | 248.025563 |
| CLogP | 2.356 |
| CLogS | -4.561 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 181.95 |
| Relative PSA | 0.41434 |
| PolarSurfaceArea | 106.65 |
| Druglikeness | -3.5951 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.47059 |
| 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 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - (NE)-N-[(2-nitrophenyl)-thiophen-2-ylmethylidene]hydroxylamine | 2 - (NE)-N-[(2-nitrophenyl)-thiophen-2-ylmethylidene]hydroxylamine
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