N-[(Z)-(6-bromo-1,3-benzodioxol-5-yl)methylideneamino]-2-(2H-tetrazol-5-yl)acetamide
Formula:C11H9N6O3Br
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(6-bromo-1,3-benzodioxol-5-yl)methylideneamino]-2-(2H-tetrazol-5-yl)acetamide is a drug-like molecule.
| MolName | N-[(Z)-(6-bromo-1,3-benzodioxol-5-yl)methylideneamino]-2-(2H-tetrazol-5-yl)acetamide |
| MolecularFormula | C11H9N6O3Br |
| Smiles | O=C(Cc1n[nH]nn1)N/N=C\c(cc1OCOc1c1)c1Br |
| InChI | InChI=1S/C11H9BrN6O3/c12-7-2-9-8(20-5-21-9)1-6(7)4-13-16-11(19)3-10-14-17-18-15-10/h1-2,4H,3,5H2,(H,16,19)(H,14,15,17,18) |
| InChIK | QWXHCAUFLMUCGV-UHFFFAOYSA-N |
| TotalMolweight | 353.135 |
| Molweight | 353.135 |
| MonoisotopicMass | 351.99195 |
| CLogP | 1.5492 |
| CLogS | -3.652 |
| H Acceptors | 9 |
| H Donors | 2 |
| TotalSurfaceArea | 225.49 |
| Relative PSA | 0.45638 |
| PolarSurfaceArea | 114.38 |
| Druglikeness | -2.0564 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.61905 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 4 |
| Aromatic Nitrogens | 4 |
| StereoCon |
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