(3Z)-3-[(E)-3-phenylprop-2-enylidene]-5-(5,6,7,8-tetrahydronaphthalen-2-yl)furan-2-one
Formula:C23H20O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(3Z)-3-[(E)-3-phenylprop-2-enylidene]-5-(5,6,7,8-tetrahydronaphthalen-2-yl)furan-2-one is not a drug-like molecule.
| MolName | (3Z)-3-[(E)-3-phenylprop-2-enylidene]-5-(5,6,7,8-tetrahydronaphthalen-2-yl)furan-2-one |
| MolecularFormula | C23H20O2 |
| Smiles | O=C1OC(c2cc(CCCC3)c3cc2)=C/C1=C/C=C/c1ccccc1 |
| InChI | InChI=1S/C23H20O2/c24-23-21(12-6-9-17-7-2-1-3-8-17)16-22(25-23)20-14-13-18-10-4-5-11-19(18)15-20/h1-3,6-9,12-16H,4-5,10-11H2 |
| InChIK | JXBQREPWTRNTQW-UHFFFAOYSA-N |
| TotalMolweight | 328.41 |
| Molweight | 328.41 |
| MonoisotopicMass | 328.14633 |
| CLogP | 5.2366 |
| CLogS | -5.081 |
| H Acceptors | 2 |
| TotalSurfaceArea | 264.73 |
| Relative PSA | 0.087032 |
| PolarSurfaceArea | 26.3 |
| Druglikeness | -5.0858 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.64 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 2 |
| Electronegative Atoms | 2 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 5 |
| Symmetricatoms | 2 |
| StereoCon |
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