[(E)-[amino-(5-nitrofuran-2-yl)methylidene]amino] thiadiazole-4-carboxylate
Formula:C8H5N5O5S
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
[(E)-[amino-(5-nitrofuran-2-yl)methylidene]amino] thiadiazole-4-carboxylate is a drug-like molecule.
| MolName | [(E)-[amino-(5-nitrofuran-2-yl)methylidene]amino] thiadiazole-4-carboxylate |
| MolecularFormula | C8H5N5O5S |
| Smiles | N/C(/c1ccc([N+]([O-])=O)o1)=N/OC(c1csnn1)=O |
| InChI | InChI=1S/C8H5N5O5S/c9-7(5-1-2-6(17-5)13(15)16)11-18-8(14)4-3-19-12-10-4/h1-3H,(H2,9,11) |
| InChIK | YHNDNQGCCHFXCA-UHFFFAOYSA-N |
| TotalMolweight | 283.224 |
| Molweight | 283.224 |
| MonoisotopicMass | 283.00114 |
| CLogP | 0.6754 |
| CLogS | -3.864 |
| H Acceptors | 10 |
| H Donors | 1 |
| TotalSurfaceArea | 199.08 |
| Relative PSA | 0.68641 |
| PolarSurfaceArea | 177.66 |
| Druglikeness | -8.4624 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.63158 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 10 |
| Sp3Atoms | 2 |
| Aromatic Nitrogens | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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