6-[(Z)-(4-oxocyclopent-2-en-1-ylidene)methyl]-7,8-dithiaspiro[4.5]deca-3,9-dien-2-one
Formula:C14H12O2S2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
6-[(Z)-(4-oxocyclopent-2-en-1-ylidene)methyl]-7,8-dithiaspiro[4.5]deca-3,9-dien-2-one is a drug-like molecule.
| MolName | 6-[(Z)-(4-oxocyclopent-2-en-1-ylidene)methyl]-7,8-dithiaspiro[4.5]deca-3,9-dien-2-one |
| MolecularFormula | C14H12O2S2 |
| Smiles | O=C(C1)C=CC11C=CSSC1/C=C(/C1)\C=CC1=O |
| InChI | InChI=1S/C14H12O2S2/c15-11-2-1-10(7-11)8-13-14(5-6-17-18-13)4-3-12(16)9-14/h1-6,8,13H,7,9H2 |
| InChIK | RDQDUUPMCHHTSD-UHFFFAOYSA-N |
| TotalMolweight | 276.379 |
| Molweight | 276.379 |
| MonoisotopicMass | 276.02787 |
| CLogP | 2.9165 |
| CLogS | -3.389 |
| H Acceptors | 2 |
| TotalSurfaceArea | 198.12 |
| Relative PSA | 0.3082 |
| PolarSurfaceArea | 84.74 |
| Druglikeness | 1.7432 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.55556 |
| Fragments | 1 |
| Non HAtoms | 18 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| StereoCenters | 2 |
| Rotatable Bond | 1 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Sp3Atoms | 6 |
| StereoCon | unknown chirality |
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1 - 6-[(Z)-(4-oxocyclopent-2-en-1-ylidene)methyl]-7,8-dithiaspiro[4.5]deca-3,9-dien-2-one | 2 - 6-[(Z)-(4-oxocyclopent-2-en-1-ylidene)methyl]-7,8-dithiaspiro[4.5]deca-3,9-dien-2-one
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