(E)-1-hydroxy-5-phenylpent-1-en-3-one
Formula:C11H12O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-1-hydroxy-5-phenylpent-1-en-3-one is a drug-like molecule.
| MolName | (E)-1-hydroxy-5-phenylpent-1-en-3-one |
| MolecularFormula | C11H12O2 |
| Smiles | O/C=C/C(CCc1ccccc1)=O |
| InChI | InChI=1S/C11H12O2/c12-9-8-11(13)7-6-10-4-2-1-3-5-10/h1-5,8-9,12H,6-7H2 |
| InChIK | XRQGGSJAMNOJQI-UHFFFAOYSA-N |
| TotalMolweight | 176.214 |
| Molweight | 176.214 |
| MonoisotopicMass | 176.08373 |
| CLogP | 1.5562 |
| CLogS | -2.298 |
| H Acceptors | 2 |
| H Donors | 1 |
| TotalSurfaceArea | 151.38 |
| Relative PSA | 0.17268 |
| PolarSurfaceArea | 37.3 |
| Druglikeness | -0.97408 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.76923 |
| Fragments | 1 |
| Non HAtoms | 13 |
| NonCHAtoms | 2 |
| Electronegative Atoms | 2 |
| Rotatable Bond | 4 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| StereoCon |
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