N-[(Z)-furan-2-ylmethylideneamino]-2H-tetrazol-5-amine
Formula:C6H6N6O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-furan-2-ylmethylideneamino]-2H-tetrazol-5-amine is a drug-like molecule.
| MolName | N-[(Z)-furan-2-ylmethylideneamino]-2H-tetrazol-5-amine |
| MolecularFormula | C6H6N6O |
| Smiles | C(c1ccco1)=N\Nc1n[nH]nn1 |
| InChI | InChI=1S/C6H6N6O/c1-2-5(13-3-1)4-7-8-6-9-11-12-10-6/h1-4H,(H2,8,9,10,11,12) |
| InChIK | LMBUAGUZILWLFJ-UHFFFAOYSA-N |
| TotalMolweight | 178.155 |
| Molweight | 178.155 |
| MonoisotopicMass | 178.060309 |
| CLogP | 2.0225 |
| CLogS | -2.239 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 144.78 |
| Relative PSA | 0.58005 |
| PolarSurfaceArea | 91.99 |
| Druglikeness | -1.9619 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.69231 |
| Fragments | 1 |
| Non HAtoms | 13 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 10 |
| Aromatic Nitrogens | 4 |
| StereoCon |
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