2-(5-aminotetrazol-1-yl)-N-[(Z)-(5-nitrothiophen-2-yl)methylideneamino]acetamide
Formula:C8H8N8O3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-(5-aminotetrazol-1-yl)-N-[(Z)-(5-nitrothiophen-2-yl)methylideneamino]acetamide is not a drug-like molecule.
| MolName | 2-(5-aminotetrazol-1-yl)-N-[(Z)-(5-nitrothiophen-2-yl)methylideneamino]acetamide |
| MolecularFormula | C8H8N8O3S |
| Smiles | Nc1nnnn1CC(N/N=C\c1ccc([N+]([O-])=O)s1)=O |
| InChI | InChI=1S/C8H8N8O3S/c9-8-12-13-14-15(8)4-6(17)11-10-3-5-1-2-7(20-5)16(18)19/h1-3H,4H2,(H,11,17)(H2,9,12,14) |
| InChIK | OZKRRIKSNWRHOE-UHFFFAOYSA-N |
| TotalMolweight | 296.271 |
| Molweight | 296.271 |
| MonoisotopicMass | 296.044007 |
| CLogP | -0.6849 |
| CLogS | -3.486 |
| H Acceptors | 11 |
| H Donors | 2 |
| TotalSurfaceArea | 214.36 |
| Relative PSA | 0.66169 |
| PolarSurfaceArea | 185.14 |
| Druglikeness | 0.12305 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.65 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 12 |
| Electronegative Atoms | 12 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 10 |
| Sp3Atoms | 2 |
| Aromatic Nitrogens | 4 |
| AcidicOxygens | 1 |
| StereoCon |
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