N-[(Z)-(4-nitrophenyl)methylideneamino]-2H-tetrazol-5-amine
Formula:C8H7N7O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(4-nitrophenyl)methylideneamino]-2H-tetrazol-5-amine is a drug-like molecule.
| MolName | N-[(Z)-(4-nitrophenyl)methylideneamino]-2H-tetrazol-5-amine |
| MolecularFormula | C8H7N7O2 |
| Smiles | [O-][N+](c1ccc(/C=N\Nc2n[nH]nn2)cc1)=O |
| InChI | InChI=1S/C8H7N7O2/c16-15(17)7-3-1-6(2-4-7)5-9-10-8-11-13-14-12-8/h1-5H,(H2,10,11,12,13,14) |
| InChIK | NJRKWLITLCSKER-UHFFFAOYSA-N |
| TotalMolweight | 233.191 |
| Molweight | 233.191 |
| MonoisotopicMass | 233.066123 |
| CLogP | 1.9122 |
| CLogS | -3.017 |
| H Acceptors | 9 |
| H Donors | 2 |
| TotalSurfaceArea | 178.76 |
| Relative PSA | 0.56103 |
| PolarSurfaceArea | 124.67 |
| Druglikeness | -6.8775 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; imine/hydrazone of aldehyde |
| Shape Index | 0.70588 |
| Fragments | 1 |
| Non HAtoms | 17 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 4 |
| 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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