[(Z)-(7,7-dioxo-5,6-dihydrothieno[2,3-b]thiopyran-4-ylidene)amino] cyclopropanecarboxylate
Formula:C11H11NO4S2
Mutagenic:high
Tumorigenic:none
Reproductive Effective:low
[(Z)-(7,7-dioxo-5,6-dihydrothieno[2,3-b]thiopyran-4-ylidene)amino] cyclopropanecarboxylate is a drug-like molecule.
| MolName | [(Z)-(7,7-dioxo-5,6-dihydrothieno[2,3-b]thiopyran-4-ylidene)amino] cyclopropanecarboxylate |
| MolecularFormula | C11H11NO4S2 |
| Smiles | O=C(C1CC1)O/N=C(/CC1)\c(ccs2)c2S1(=O)=O |
| InChI | InChI=1S/C11H11NO4S2/c13-10(7-1-2-7)16-12-9-4-6-18(14,15)11-8(9)3-5-17-11/h3,5,7H,1-2,4,6H2 |
| InChIK | DQPNFSVKZQFQBK-UHFFFAOYSA-N |
| TotalMolweight | 285.343 |
| Molweight | 285.343 |
| MonoisotopicMass | 285.012949 |
| CLogP | 1.6531 |
| CLogS | -3.859 |
| H Acceptors | 5 |
| TotalSurfaceArea | 189.04 |
| Relative PSA | 0.44165 |
| PolarSurfaceArea | 109.42 |
| Druglikeness | -3.4852 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.55556 |
| Fragments | 1 |
| Non HAtoms | 18 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 5 |
| Sp3Atoms | 7 |
| Symmetricatoms | 2 |
| StereoCon |
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1 - [(Z)-(7,7-dioxo-5,6-dihydrothieno[2,3-b]thiopyran-4-ylidene)amino] cyclopropanecarboxylate | 2 - [(Z)-(7,7-dioxo-5,6-dihydrothieno[2,3-b]thiopyran-4-ylidene)amino] cyclopropanecarboxylate
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