1-[(Z)-(4-nitrophenyl)methylideneamino]tetrazol-5-amine
Formula:C8H7N7O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
1-[(Z)-(4-nitrophenyl)methylideneamino]tetrazol-5-amine is a drug-like molecule.
| MolName | 1-[(Z)-(4-nitrophenyl)methylideneamino]tetrazol-5-amine |
| MolecularFormula | C8H7N7O2 |
| Smiles | Nc1nnnn1/N=C\c(cc1)ccc1[N+]([O-])=O |
| InChI | InChI=1S/C8H7N7O2/c9-8-11-12-13-14(8)10-5-6-1-3-7(4-2-6)15(16)17/h1-5H,(H2,9,11,13) |
| InChIK | ISHYOQGJQBGALQ-UHFFFAOYSA-N |
| TotalMolweight | 233.191 |
| Molweight | 233.191 |
| MonoisotopicMass | 233.066123 |
| CLogP | 0.3049 |
| CLogS | -4.247 |
| H Acceptors | 9 |
| H Donors | 1 |
| TotalSurfaceArea | 175.45 |
| Relative PSA | 0.55275 |
| PolarSurfaceArea | 127.8 |
| Druglikeness | -3.9768 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; imine/hydrazone of aldehyde |
| Shape Index | 0.64706 |
| Fragments | 1 |
| Non HAtoms | 17 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 4 |
| AcidicOxygens | 1 |
| StereoCon |
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