[(E)-[amino(thiophen-2-yl)methylidene]amino] 2-chloroacetate
Formula:C7H7N2O2ClS
Mutagenic:high
Tumorigenic:high
Reproductive Effective:high
[(E)-[amino(thiophen-2-yl)methylidene]amino] 2-chloroacetate is a drug-like molecule.
| MolName | [(E)-[amino(thiophen-2-yl)methylidene]amino] 2-chloroacetate |
| MolecularFormula | C7H7N2O2ClS |
| Smiles | N/C(/c1cccs1)=N/OC(CCl)=O |
| InChI | InChI=1S/C7H7ClN2O2S/c8-4-6(11)12-10-7(9)5-2-1-3-13-5/h1-3H,4H2,(H2,9,10) |
| InChIK | OQXNURSNFIANFU-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 | -1.6915 |
| 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)-[amino(thiophen-2-yl)methylidene]amino] 2-chloroacetate | 2 - [(E)-[amino(thiophen-2-yl)methylidene]amino] 2-chloroacetate
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