4-carboxy-1,2,5-thiadiazole-3-carboxylate
Formula:C4HN2O4S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-carboxy-1,2,5-thiadiazole-3-carboxylate is a drug-like molecule.
| MolName | 4-carboxy-1,2,5-thiadiazole-3-carboxylate |
| MolecularFormula | C4HN2O4S |
| Smiles | [O-]C(c1nsnc1C(O)=O)=O |
| InChI | InChI=1S/C4H2N2O4S/c7-3(8)1-2(4(9)10)6-11-5-1/h(H,7,8)(H,9,10)/p-1 |
| InChIK | CCKODBHYAPROLJ-UHFFFAOYSA-M |
| TotalMolweight | 173.128 |
| Molweight | 173.128 |
| MonoisotopicMass | 172.965703 |
| CLogP | -2.261 |
| CLogS | 3.074 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 116.1 |
| Relative PSA | 0.82481 |
| PolarSurfaceArea | 131.45 |
| Druglikeness | 1.0147 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.54545 |
| Fragments | 1 |
| Non HAtoms | 11 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 2 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 5 |
| Sp3Atoms | 2 |
| Aromatic Nitrogens | 2 |
| AcidicOxygens | 2 |
| StereoCon |
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