[(E)-(1-amino-2-pyridin-2-ylsulfonylethylidene)amino] 2-chloroacetate
Formula:C9H10N3O4ClS
Mutagenic:high
Tumorigenic:high
Reproductive Effective:high
[(E)-(1-amino-2-pyridin-2-ylsulfonylethylidene)amino] 2-chloroacetate is a drug-like molecule.
| MolName | [(E)-(1-amino-2-pyridin-2-ylsulfonylethylidene)amino] 2-chloroacetate |
| MolecularFormula | C9H10N3O4ClS |
| Smiles | N/C(/CS(c1ncccc1)(=O)=O)=N/OC(CCl)=O |
| InChI | InChI=1S/C9H10ClN3O4S/c10-5-9(14)17-13-7(11)6-18(15,16)8-3-1-2-4-12-8/h1-4H,5-6H2,(H2,11,13) |
| InChIK | CLMJOAFXFKBRGR-UHFFFAOYSA-N |
| TotalMolweight | 291.714 |
| Molweight | 291.714 |
| MonoisotopicMass | 291.008054 |
| CLogP | -0.3083 |
| CLogS | -1.846 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 202.78 |
| Relative PSA | 0.44072 |
| PolarSurfaceArea | 120.09 |
| Druglikeness | -6.4979 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 18 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 6 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 4 |
| Symmetricatoms | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - [(E)-(1-amino-2-pyridin-2-ylsulfonylethylidene)amino] 2-chloroacetate | 2 - [(E)-(1-amino-2-pyridin-2-ylsulfonylethylidene)amino] 2-chloroacetate
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