[(E)-(7,7-dioxo-5,6-dihydrothieno[2,3-b]thiopyran-4-ylidene)amino] 4-chlorobenzoate
Formula:C14H10NO4ClS2
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
[(E)-(7,7-dioxo-5,6-dihydrothieno[2,3-b]thiopyran-4-ylidene)amino] 4-chlorobenzoate is a drug-like molecule.
| MolName | [(E)-(7,7-dioxo-5,6-dihydrothieno[2,3-b]thiopyran-4-ylidene)amino] 4-chlorobenzoate |
| MolecularFormula | C14H10NO4ClS2 |
| Smiles | O=C(c(cc1)ccc1Cl)O/N=C(\CC1)/c(ccs2)c2S1(=O)=O |
| InChI | InChI=1S/C14H10ClNO4S2/c15-10-3-1-9(2-4-10)13(17)20-16-12-6-8-22(18,19)14-11(12)5-7-21-14/h1-5,7H,6,8H2 |
| InChIK | YVCIRWXAYDOZNO-UHFFFAOYSA-N |
| TotalMolweight | 355.821 |
| Molweight | 355.821 |
| MonoisotopicMass | 354.973976 |
| CLogP | 3.3848 |
| CLogS | -5.249 |
| H Acceptors | 5 |
| TotalSurfaceArea | 237.7 |
| Relative PSA | 0.35124 |
| PolarSurfaceArea | 109.42 |
| Druglikeness | -2.3521 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.59091 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 4 |
| Symmetricatoms | 3 |
| StereoCon |
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1 - [(E)-(7,7-dioxo-5,6-dihydrothieno[2,3-b]thiopyran-4-ylidene)amino] 4-chlorobenzoate | 2 - [(E)-(7,7-dioxo-5,6-dihydrothieno[2,3-b]thiopyran-4-ylidene)amino] 4-chlorobenzoate
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