| MolName | 1,4-bis[(E)-2-(1-phenyltetrazol-5-yl)ethenyl]piperazine |
| MolecularFormula | C22H22N10 |
| Smiles | C(CN(CC1)/C=C/c2nnnn2-c2ccccc2)N1/C=C/c1nnnn1-c1ccccc1 |
| InChI | InChI=1S/C22H22N10/c1-3-7-19(8-4-1)31-21(23-25-27-31)11-13-29-15-17-30(18-16-29)14-12-22-24-26-28-32(22)20-9-5-2-6-10-20/h1-14H,15-18H2 |
| InChIK | BNIJXCOMIQHHNQ-UHFFFAOYSA-N |
| TotalMolweight | 426.487 |
| Molweight | 426.487 |
| MonoisotopicMass | 426.20289 |
| CLogP | 0.9804 |
| CLogS | -2.586 |
| H Acceptors | 10 |
| TotalSurfaceArea | 338.64 |
| Relative PSA | 0.25591 |
| PolarSurfaceArea | 93.68 |
| Druglikeness | 4.3689 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.625 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 6 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 22 |
| Sp3Atoms | 6 |
| Symmetricatoms | 19 |
| Aromatic Nitrogens | 8 |
| StereoCon |
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1 - 1,4-bis[(E)-2-(1-phenyltetrazol-5-yl)ethenyl]piperazine | 2 - 1,4-bis[(E)-2-(1-phenyltetrazol-5-yl)ethenyl]piperazine