(2E,5E)-2,5-bis(thiophen-3-ylmethylidene)cyclopentan-1-one
Formula:C15H12OS2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(2E,5E)-2,5-bis(thiophen-3-ylmethylidene)cyclopentan-1-one is a drug-like molecule.
| MolName | (2E,5E)-2,5-bis(thiophen-3-ylmethylidene)cyclopentan-1-one |
| MolecularFormula | C15H12OS2 |
| Smiles | O=C(/C(/CC1)=C/c2cscc2)/C1=C/c1cscc1 |
| InChI | InChI=1S/C15H12OS2/c16-15-13(7-11-3-5-17-9-11)1-2-14(15)8-12-4-6-18-10-12/h3-10H,1-2H2 |
| InChIK | XXBOXAIMRYLELK-UHFFFAOYSA-N |
| TotalMolweight | 272.391 |
| Molweight | 272.391 |
| MonoisotopicMass | 272.032955 |
| CLogP | 4.0648 |
| CLogS | -4.12 |
| H Acceptors | 1 |
| TotalSurfaceArea | 206.09 |
| Relative PSA | 0.26086 |
| PolarSurfaceArea | 73.55 |
| Druglikeness | 0.17756 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.61111 |
| Fragments | 1 |
| Non HAtoms | 18 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 2 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 10 |
| Sp3Atoms | 2 |
| Symmetricatoms | 8 |
| StereoCon |
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