| MolName | 2-(5-aminotetrazol-1-yl)-N'-[1-(4-nitrophenyl)ethenyl]acetohydrazide |
| MolecularFormula | C11H12N8O3 |
| Smiles | C=C(c(cc1)ccc1[N+]([O-])=O)NNC(Cn1nnnc1N)=O |
| InChI | InChI=1S/C11H12N8O3/c1-7(8-2-4-9(5-3-8)19(21)22)13-14-10(20)6-18-11(12)15-16-17-18/h2-5,13H,1,6H2,(H,14,20)(H2,12,15,17) |
| InChIK | HMBWQROWLYLDNA-UHFFFAOYSA-N |
| TotalMolweight | 304.269 |
| Molweight | 304.269 |
| MonoisotopicMass | 304.103237 |
| CLogP | -1.8124 |
| CLogS | -3.24 |
| H Acceptors | 11 |
| H Donors | 3 |
| TotalSurfaceArea | 227.87 |
| Relative PSA | 0.53289 |
| PolarSurfaceArea | 156.57 |
| Druglikeness | -5.2907 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.63636 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| Rotatable Bond | 6 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 4 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 2-(5-aminotetrazol-1-yl)-N'-[1-(4-nitrophenyl)ethenyl]acetohydrazide | 2 - 2-(5-aminotetrazol-1-yl)-N'-[1-(4-nitrophenyl)ethenyl]acetohydrazide