(2Z,3Z)-2,3-bis(furan-2-ylmethylidene)butanedial
Formula:C14H10O4
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
(2Z,3Z)-2,3-bis(furan-2-ylmethylidene)butanedial is a drug-like molecule.
| MolName | (2Z,3Z)-2,3-bis(furan-2-ylmethylidene)butanedial |
| MolecularFormula | C14H10O4 |
| Smiles | O=C/C(/C(/C=O)=C/c1ccco1)=C\c1ccco1 |
| InChI | InChI=1S/C14H10O4/c15-9-11(7-13-3-1-5-17-13)12(10-16)8-14-4-2-6-18-14/h1-10H |
| InChIK | ZUNSZDDFBZNPMB-UHFFFAOYSA-N |
| TotalMolweight | 242.229 |
| Molweight | 242.229 |
| MonoisotopicMass | 242.05791 |
| CLogP | 1.8354 |
| CLogS | -3.092 |
| H Acceptors | 4 |
| TotalSurfaceArea | 200.9 |
| Relative PSA | 0.27028 |
| PolarSurfaceArea | 60.42 |
| Druglikeness | -2.8365 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.55556 |
| Fragments | 1 |
| Non HAtoms | 18 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 10 |
| Symmetricatoms | 9 |
| StereoCon |
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