[(Z)-[amino(1,2,4-oxadiazol-3-yl)methylidene]amino] 2,1,3-benzothiadiazole-5-carboxylate
Formula:C10H6N6O3S
Mutagenic:high
Tumorigenic:none
Reproductive Effective:low
[(Z)-[amino(1,2,4-oxadiazol-3-yl)methylidene]amino] 2,1,3-benzothiadiazole-5-carboxylate is a drug-like molecule.
| MolName | [(Z)-[amino(1,2,4-oxadiazol-3-yl)methylidene]amino] 2,1,3-benzothiadiazole-5-carboxylate |
| MolecularFormula | C10H6N6O3S |
| Smiles | N/C(/c1nocn1)=N\OC(c1cc2nsnc2cc1)=O |
| InChI | InChI=1S/C10H6N6O3S/c11-8(9-12-4-18-14-9)13-19-10(17)5-1-2-6-7(3-5)16-20-15-6/h1-4H,(H2,11,13) |
| InChIK | XVGWDSOFGBSPDK-UHFFFAOYSA-N |
| TotalMolweight | 290.263 |
| Molweight | 290.263 |
| MonoisotopicMass | 290.022209 |
| CLogP | 1.7648 |
| CLogS | 1.074 |
| H Acceptors | 9 |
| H Donors | 1 |
| TotalSurfaceArea | 207.53 |
| Relative PSA | 0.6176 |
| PolarSurfaceArea | 157.62 |
| Druglikeness | -0.36529 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 14 |
| Sp3Atoms | 1 |
| Aromatic Nitrogens | 4 |
| StereoCon |
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1 - [(Z)-[amino(1,2,4-oxadiazol-3-yl)methylidene]amino] 2,1,3-benzothiadiazole-5-carboxylate | 2 - [(Z)-[amino(1,2,4-oxadiazol-3-yl)methylidene]amino] 2,1,3-benzothiadiazole-5-carboxylate
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