N-[(Z)-(3-bromophenyl)methylideneamino]-2H-tetrazol-5-amine
Formula:C8H7N6Br
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(3-bromophenyl)methylideneamino]-2H-tetrazol-5-amine is a drug-like molecule.
| MolName | N-[(Z)-(3-bromophenyl)methylideneamino]-2H-tetrazol-5-amine |
| MolecularFormula | C8H7N6Br |
| Smiles | Brc1cc(/C=N\Nc2n[nH]nn2)ccc1 |
| InChI | InChI=1S/C8H7BrN6/c9-7-3-1-2-6(4-7)5-10-11-8-12-14-15-13-8/h1-5H,(H2,11,12,13,14,15) |
| InChIK | BBARPVLVHBRUQU-UHFFFAOYSA-N |
| TotalMolweight | 267.09 |
| Molweight | 267.09 |
| MonoisotopicMass | 265.991555 |
| CLogP | 3.559 |
| CLogS | -3.391 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 173.72 |
| Relative PSA | 0.4022 |
| PolarSurfaceArea | 78.85 |
| Druglikeness | -3.2044 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 15 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Aromatic Nitrogens | 4 |
| StereoCon |
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