[(E)-(7,7-dioxo-5,6-dihydrothieno[2,3-b]thiopyran-4-ylidene)amino] 6-chloropyridine-3-carboxylate
Formula:C13H9N2O4ClS2
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
[(E)-(7,7-dioxo-5,6-dihydrothieno[2,3-b]thiopyran-4-ylidene)amino] 6-chloropyridine-3-carboxylate is a drug-like molecule.
| MolName | [(E)-(7,7-dioxo-5,6-dihydrothieno[2,3-b]thiopyran-4-ylidene)amino] 6-chloropyridine-3-carboxylate |
| MolecularFormula | C13H9N2O4ClS2 |
| Smiles | O=C(c(cc1)cnc1Cl)O/N=C(\CC1)/c(ccs2)c2S1(=O)=O |
| InChI | InChI=1S/C13H9ClN2O4S2/c14-11-2-1-8(7-15-11)12(17)20-16-10-4-6-22(18,19)13-9(10)3-5-21-13/h1-3,5,7H,4,6H2 |
| InChIK | ZVFVASDFZFQQDT-UHFFFAOYSA-N |
| TotalMolweight | 356.809 |
| Molweight | 356.809 |
| MonoisotopicMass | 355.969225 |
| CLogP | 2.4813 |
| CLogS | -4.217 |
| H Acceptors | 6 |
| TotalSurfaceArea | 236.46 |
| Relative PSA | 0.39948 |
| PolarSurfaceArea | 122.31 |
| Druglikeness | -4.3708 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.59091 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 4 |
| Symmetricatoms | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - [(E)-(7,7-dioxo-5,6-dihydrothieno[2,3-b]thiopyran-4-ylidene)amino] 6-chloropyridine-3-carboxylate | 2 - [(E)-(7,7-dioxo-5,6-dihydrothieno[2,3-b]thiopyran-4-ylidene)amino] 6-chloropyridine-3-carboxylate
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