(Z)-1-(5-nitrothiophen-3-yl)-N-[(Z)-(5-nitrothiophen-3-yl)methylideneamino]methanimine
Formula:C10H6N4O4S2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(Z)-1-(5-nitrothiophen-3-yl)-N-[(Z)-(5-nitrothiophen-3-yl)methylideneamino]methanimine is a drug-like molecule.
| MolName | (Z)-1-(5-nitrothiophen-3-yl)-N-[(Z)-(5-nitrothiophen-3-yl)methylideneamino]methanimine |
| MolecularFormula | C10H6N4O4S2 |
| Smiles | [O-][N+](c1cc(/C=N\N=C/c2csc([N+]([O-])=O)c2)cs1)=O |
| InChI | InChI=1S/C10H6N4O4S2/c15-13(16)9-1-7(5-19-9)3-11-12-4-8-2-10(14(17)18)20-6-8/h1-6H |
| InChIK | QPOVTJZYKRNTCJ-UHFFFAOYSA-N |
| TotalMolweight | 310.314 |
| Molweight | 310.314 |
| MonoisotopicMass | 309.983046 |
| CLogP | 2.8904 |
| CLogS | -5.152 |
| H Acceptors | 8 |
| TotalSurfaceArea | 221.76 |
| Relative PSA | 0.56178 |
| PolarSurfaceArea | 172.84 |
| Druglikeness | -3.0389 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; dimethylene-hydrazine; imine/hydrazone of aldehyde |
| Shape Index | 0.7 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 10 |
| Sp3Atoms | 2 |
| Symmetricatoms | 10 |
| AcidicOxygens | 2 |
| StereoCon |
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