2-(5-aminotetrazol-2-yl)-N-[(Z)-thiophen-2-ylmethylideneamino]acetamide
Formula:C8H9N7OS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-(5-aminotetrazol-2-yl)-N-[(Z)-thiophen-2-ylmethylideneamino]acetamide is a drug-like molecule.
| MolName | 2-(5-aminotetrazol-2-yl)-N-[(Z)-thiophen-2-ylmethylideneamino]acetamide |
| MolecularFormula | C8H9N7OS |
| Smiles | Nc1nn(CC(N/N=C\c2cccs2)=O)nn1 |
| InChI | InChI=1S/C8H9N7OS/c9-8-12-14-15(13-8)5-7(16)11-10-4-6-2-1-3-17-6/h1-4H,5H2,(H2,9,13)(H,11,16) |
| InChIK | IOLOBNXIXWGXHO-UHFFFAOYSA-N |
| TotalMolweight | 251.273 |
| Molweight | 251.273 |
| MonoisotopicMass | 251.058928 |
| CLogP | 0.4287 |
| CLogS | -2.001 |
| H Acceptors | 8 |
| H Donors | 2 |
| TotalSurfaceArea | 190.69 |
| Relative PSA | 0.5843 |
| PolarSurfaceArea | 139.32 |
| Druglikeness | 2.568 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.70588 |
| Fragments | 1 |
| Non HAtoms | 17 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 10 |
| Sp3Atoms | 1 |
| Aromatic Nitrogens | 4 |
| StereoCon |
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