(E)-3-cyclopenta-1,4-dien-1-yl-1-phenylprop-2-en-1-one
Formula:C14H12O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-3-cyclopenta-1,4-dien-1-yl-1-phenylprop-2-en-1-one is a drug-like molecule.
| MolName | (E)-3-cyclopenta-1,4-dien-1-yl-1-phenylprop-2-en-1-one |
| MolecularFormula | C14H12O |
| Smiles | O=C(/C=C/C1=CCC=C1)c1ccccc1 |
| InChI | InChI=1S/C14H12O/c15-14(13-8-2-1-3-9-13)11-10-12-6-4-5-7-12/h1-4,6-11H,5H2 |
| InChIK | WCOJUAUBKWYVMW-UHFFFAOYSA-N |
| TotalMolweight | 196.248 |
| Molweight | 196.248 |
| MonoisotopicMass | 196.088815 |
| CLogP | 2.8096 |
| CLogS | -3.176 |
| H Acceptors | 1 |
| TotalSurfaceArea | 168.98 |
| Relative PSA | 0.077169 |
| PolarSurfaceArea | 17.07 |
| Druglikeness | -0.81538 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 15 |
| NonCHAtoms | 1 |
| Electronegative Atoms | 1 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| StereoCon |
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