(E)-1-(4-chlorophenyl)-3-hydroxyprop-2-en-1-one
Formula:C9H7O2Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-1-(4-chlorophenyl)-3-hydroxyprop-2-en-1-one is a drug-like molecule.
| MolName | (E)-1-(4-chlorophenyl)-3-hydroxyprop-2-en-1-one |
| MolecularFormula | C9H7O2Cl |
| Smiles | O/C=C/C(c(cc1)ccc1Cl)=O |
| InChI | InChI=1S/C9H7ClO2/c10-8-3-1-7(2-4-8)9(12)5-6-11/h1-6,11H |
| InChIK | HUSXKTNWVOVXOI-UHFFFAOYSA-N |
| TotalMolweight | 182.606 |
| Molweight | 182.606 |
| MonoisotopicMass | 182.013457 |
| CLogP | 1.4181 |
| CLogS | -3.023 |
| H Acceptors | 2 |
| H Donors | 1 |
| TotalSurfaceArea | 139.28 |
| Relative PSA | 0.18768 |
| PolarSurfaceArea | 37.3 |
| Druglikeness | -0.045587 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.75 |
| Fragments | 1 |
| Non HAtoms | 12 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 2 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| StereoCon |
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