[(E)-[amino-[4-(thiadiazol-4-yl)phenyl]methylidene]amino] thiadiazole-4-carboxylate
Formula:C12H8N6O2S2
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
[(E)-[amino-[4-(thiadiazol-4-yl)phenyl]methylidene]amino] thiadiazole-4-carboxylate is a drug-like molecule.
| MolName | [(E)-[amino-[4-(thiadiazol-4-yl)phenyl]methylidene]amino] thiadiazole-4-carboxylate |
| MolecularFormula | C12H8N6O2S2 |
| Smiles | N/C(/c(cc1)ccc1-c1csnn1)=N/OC(c1csnn1)=O |
| InChI | InChI=1S/C12H8N6O2S2/c13-11(16-20-12(19)10-6-22-18-15-10)8-3-1-7(2-4-8)9-5-21-17-14-9/h1-6H,(H2,13,16) |
| InChIK | IWNUDIJWBOXIBU-UHFFFAOYSA-N |
| TotalMolweight | 332.368 |
| Molweight | 332.368 |
| MonoisotopicMass | 332.015014 |
| CLogP | 2.7379 |
| CLogS | -4.612 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 238.94 |
| Relative PSA | 0.56257 |
| PolarSurfaceArea | 172.72 |
| Druglikeness | -5.5168 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.63636 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 4 |
| StereoCon |
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