1-[(Z)-(6-bromo-1,3-benzodioxol-5-yl)methylideneamino]tetrazol-5-amine
Formula:C9H7N6O2Br
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
1-[(Z)-(6-bromo-1,3-benzodioxol-5-yl)methylideneamino]tetrazol-5-amine is a drug-like molecule.
| MolName | 1-[(Z)-(6-bromo-1,3-benzodioxol-5-yl)methylideneamino]tetrazol-5-amine |
| MolecularFormula | C9H7N6O2Br |
| Smiles | Nc1nnnn1/N=C\c(cc1OCOc1c1)c1Br |
| InChI | InChI=1S/C9H7BrN6O2/c10-6-2-8-7(17-4-18-8)1-5(6)3-12-16-9(11)13-14-15-16/h1-3H,4H2,(H2,11,13,15) |
| InChIK | JFNIYHUCGZLRIL-UHFFFAOYSA-N |
| TotalMolweight | 311.099 |
| Molweight | 311.099 |
| MonoisotopicMass | 309.981385 |
| CLogP | 2.0631 |
| CLogS | -5.332 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 190.67 |
| Relative PSA | 0.45398 |
| PolarSurfaceArea | 100.44 |
| Druglikeness | -0.75507 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.55556 |
| Fragments | 1 |
| Non HAtoms | 18 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 2 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 3 |
| Aromatic Nitrogens | 4 |
| StereoCon |
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