2-(5-aminotetrazol-1-yl)-N-[(Z)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]acetamide
Formula:C11H10N8O5
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-(5-aminotetrazol-1-yl)-N-[(Z)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]acetamide is not a drug-like molecule.
| MolName | 2-(5-aminotetrazol-1-yl)-N-[(Z)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]acetamide |
| MolecularFormula | C11H10N8O5 |
| Smiles | Nc1nnnn1CC(N/N=C\c(cc1OCOc1c1)c1[N+]([O-])=O)=O |
| InChI | InChI=1S/C11H10N8O5/c12-11-15-16-17-18(11)4-10(20)14-13-3-6-1-8-9(24-5-23-8)2-7(6)19(21)22/h1-3H,4-5H2,(H,14,20)(H2,12,15,17) |
| InChIK | YEBRJWPJDUXILP-UHFFFAOYSA-N |
| TotalMolweight | 334.251 |
| Molweight | 334.251 |
| MonoisotopicMass | 334.077417 |
| CLogP | -0.6297 |
| CLogS | -4.037 |
| H Acceptors | 13 |
| H Donors | 2 |
| TotalSurfaceArea | 238.68 |
| Relative PSA | 0.59276 |
| PolarSurfaceArea | 175.36 |
| Druglikeness | -1.0921 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.54167 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 13 |
| Electronegative Atoms | 13 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 5 |
| Aromatic Nitrogens | 4 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 2-(5-aminotetrazol-1-yl)-N-[(Z)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]acetamide | 2 - 2-(5-aminotetrazol-1-yl)-N-[(Z)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]acetamide
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