N-[(Z)-(5-nitrothiophen-2-yl)methylideneamino]-2-pyridin-2-ylsulfanylacetamide
Formula:C12H10N4O3S2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(5-nitrothiophen-2-yl)methylideneamino]-2-pyridin-2-ylsulfanylacetamide is a drug-like molecule.
| MolName | N-[(Z)-(5-nitrothiophen-2-yl)methylideneamino]-2-pyridin-2-ylsulfanylacetamide |
| MolecularFormula | C12H10N4O3S2 |
| Smiles | [O-][N+](c1ccc(/C=N\NC(CSc2ncccc2)=O)s1)=O |
| InChI | InChI=1S/C12H10N4O3S2/c17-10(8-20-11-3-1-2-6-13-11)15-14-7-9-4-5-12(21-9)16(18)19/h1-7H,8H2,(H,15,17) |
| InChIK | XBHDVYBPBNXQEF-UHFFFAOYSA-N |
| TotalMolweight | 322.368 |
| Molweight | 322.368 |
| MonoisotopicMass | 322.019431 |
| CLogP | 1.6455 |
| CLogS | -3.851 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 236.61 |
| Relative PSA | 0.48709 |
| PolarSurfaceArea | 153.71 |
| Druglikeness | 0.60779 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.71429 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 6 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 3 |
| Aromatic Nitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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