1-[(Z)-(5-nitrofuran-2-yl)methylideneamino]tetrazol-5-amine
Formula:C6H5N7O3
Mutagenic:high
Tumorigenic:high
Reproductive Effective:high
1-[(Z)-(5-nitrofuran-2-yl)methylideneamino]tetrazol-5-amine is a drug-like molecule.
| MolName | 1-[(Z)-(5-nitrofuran-2-yl)methylideneamino]tetrazol-5-amine |
| MolecularFormula | C6H5N7O3 |
| Smiles | Nc1nnnn1/N=C\c1ccc([N+]([O-])=O)o1 |
| InChI | InChI=1S/C6H5N7O3/c7-6-9-10-11-12(6)8-3-4-1-2-5(16-4)13(14)15/h1-3H,(H2,7,9,11) |
| InChIK | DLNASJVEIBYGGL-UHFFFAOYSA-N |
| TotalMolweight | 223.152 |
| Molweight | 223.152 |
| MonoisotopicMass | 223.045388 |
| CLogP | -0.155 |
| CLogS | -4.454 |
| H Acceptors | 10 |
| H Donors | 1 |
| TotalSurfaceArea | 165.14 |
| Relative PSA | 0.6727 |
| PolarSurfaceArea | 140.94 |
| Druglikeness | 0.74528 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | aromatic nitro; imine/hydrazone of aldehyde |
| Shape Index | 0.625 |
| Fragments | 1 |
| Non HAtoms | 16 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 10 |
| Sp3Atoms | 1 |
| Aromatic Nitrogens | 4 |
| AcidicOxygens | 1 |
| StereoCon |
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