(2Z)-2-(thiophen-2-ylmethylidene)-3H-1-benzofuran-3-ol
Formula:C13H10O2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(2Z)-2-(thiophen-2-ylmethylidene)-3H-1-benzofuran-3-ol is a drug-like molecule.
| MolName | (2Z)-2-(thiophen-2-ylmethylidene)-3H-1-benzofuran-3-ol |
| MolecularFormula | C13H10O2S |
| Smiles | OC1c(cccc2)c2O/C1=C\c1cccs1 |
| InChI | InChI=1S/C13H10O2S/c14-13-10-5-1-2-6-11(10)15-12(13)8-9-4-3-7-16-9/h1-8,13-14H/t13-/m1/s1 |
| InChIK | MYNXYVXHUPQZDJ-CYBMUJFWSA-N |
| TotalMolweight | 230.286 |
| Molweight | 230.286 |
| MonoisotopicMass | 230.04015 |
| CLogP | 3.01 |
| CLogS | -3.423 |
| H Acceptors | 2 |
| H Donors | 1 |
| TotalSurfaceArea | 169.02 |
| Relative PSA | 0.25713 |
| PolarSurfaceArea | 57.7 |
| Druglikeness | 1.6196 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.5625 |
| Fragments | 1 |
| Non HAtoms | 16 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| StereoCenters | 1 |
| Rotatable Bond | 1 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 3 |
| StereoCon | racemate |
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