(2Z)-2-(1,3-benzodioxol-5-ylmethylidene)-3H-1-benzofuran-3-ol
Formula:C16H12O4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
(2Z)-2-(1,3-benzodioxol-5-ylmethylidene)-3H-1-benzofuran-3-ol is a drug-like molecule.
| MolName | (2Z)-2-(1,3-benzodioxol-5-ylmethylidene)-3H-1-benzofuran-3-ol |
| MolecularFormula | C16H12O4 |
| Smiles | OC1c(cccc2)c2O/C1=C\c(cc1)cc2c1OCO2 |
| InChI | InChI=1S/C16H12O4/c17-16-11-3-1-2-4-12(11)20-15(16)8-10-5-6-13-14(7-10)19-9-18-13/h1-8,16-17H,9H2/t16-/m0/s1 |
| InChIK | WYANGWPRWZWHSX-INIZCTEOSA-N |
| TotalMolweight | 268.267 |
| Molweight | 268.267 |
| MonoisotopicMass | 268.07356 |
| CLogP | 3.2548 |
| CLogS | -4.124 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 193.34 |
| Relative PSA | 0.22292 |
| PolarSurfaceArea | 47.92 |
| Druglikeness | -0.45219 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.55 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| StereoCenters | 1 |
| Rotatable Bond | 1 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 6 |
| StereoCon | racemate |
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