[(E)-(1-amino-2-chloroethylidene)amino] thiophene-2-carboxylate
Formula:C7H7N2O2ClS
Mutagenic:high
Tumorigenic:high
Reproductive Effective:high
[(E)-(1-amino-2-chloroethylidene)amino] thiophene-2-carboxylate is a drug-like molecule.
| MolName | [(E)-(1-amino-2-chloroethylidene)amino] thiophene-2-carboxylate |
| MolecularFormula | C7H7N2O2ClS |
| Smiles | N/C(/CCl)=N/OC(c1cccs1)=O |
| InChI | InChI=1S/C7H7ClN2O2S/c8-4-6(9)10-12-7(11)5-2-1-3-13-5/h1-3H,4H2,(H2,9,10) |
| InChIK | XLWVOJGURWJYRE-UHFFFAOYSA-N |
| TotalMolweight | 218.664 |
| Molweight | 218.664 |
| MonoisotopicMass | 217.991675 |
| CLogP | 1.7242 |
| CLogS | -2.777 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 157.62 |
| Relative PSA | 0.44525 |
| PolarSurfaceArea | 92.92 |
| Druglikeness | -0.18333 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.69231 |
| Fragments | 1 |
| Non HAtoms | 13 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 5 |
| Sp3Atoms | 2 |
| StereoCon |
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1 - [(E)-(1-amino-2-chloroethylidene)amino] thiophene-2-carboxylate | 2 - [(E)-(1-amino-2-chloroethylidene)amino] thiophene-2-carboxylate
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