2-(5-aminotetrazol-1-yl)-N-[(Z)-furan-2-ylmethylideneamino]acetamide
Formula:C8H9N7O2
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
2-(5-aminotetrazol-1-yl)-N-[(Z)-furan-2-ylmethylideneamino]acetamide is a drug-like molecule.
| MolName | 2-(5-aminotetrazol-1-yl)-N-[(Z)-furan-2-ylmethylideneamino]acetamide |
| MolecularFormula | C8H9N7O2 |
| Smiles | Nc1nnnn1CC(N/N=C\c1ccco1)=O |
| InChI | InChI=1S/C8H9N7O2/c9-8-12-13-14-15(8)5-7(16)11-10-4-6-2-1-3-17-6/h1-4H,5H2,(H,11,16)(H2,9,12,14) |
| InChIK | OLNKFYCGPJGBRL-UHFFFAOYSA-N |
| TotalMolweight | 235.206 |
| Molweight | 235.206 |
| MonoisotopicMass | 235.081773 |
| CLogP | -0.6308 |
| CLogS | -2.548 |
| H Acceptors | 9 |
| H Donors | 2 |
| TotalSurfaceArea | 184.44 |
| Relative PSA | 0.57021 |
| PolarSurfaceArea | 124.22 |
| Druglikeness | 3.9592 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.64706 |
| 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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