[(Z)-(1-amino-2-chloroethylidene)amino] thiadiazole-4-carboxylate
Formula:C5H5N4O2ClS
Mutagenic:high
Tumorigenic:high
Reproductive Effective:high
[(Z)-(1-amino-2-chloroethylidene)amino] thiadiazole-4-carboxylate is a drug-like molecule.
| MolName | [(Z)-(1-amino-2-chloroethylidene)amino] thiadiazole-4-carboxylate |
| MolecularFormula | C5H5N4O2ClS |
| Smiles | N/C(/CCl)=N\OC(c1csnn1)=O |
| InChI | InChI=1S/C5H5ClN4O2S/c6-1-4(7)9-12-5(11)3-2-13-10-8-3/h2H,1H2,(H2,7,9) |
| InChIK | RSODZKVMBKBRLS-UHFFFAOYSA-N |
| TotalMolweight | 220.64 |
| Molweight | 220.64 |
| MonoisotopicMass | 219.982173 |
| CLogP | 0.8424 |
| CLogS | -2.428 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 155.14 |
| Relative PSA | 0.59379 |
| PolarSurfaceArea | 118.7 |
| Druglikeness | -5.5646 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.69231 |
| Fragments | 1 |
| Non HAtoms | 13 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 4 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 5 |
| Sp3Atoms | 2 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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1 - [(Z)-(1-amino-2-chloroethylidene)amino] thiadiazole-4-carboxylate | 2 - [(Z)-(1-amino-2-chloroethylidene)amino] thiadiazole-4-carboxylate
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