(E)-3-(3-hydroxyphenyl)-1-pyridin-4-ylprop-2-en-1-one
Formula:C14H11NO2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-3-(3-hydroxyphenyl)-1-pyridin-4-ylprop-2-en-1-one is a drug-like molecule.
| MolName | (E)-3-(3-hydroxyphenyl)-1-pyridin-4-ylprop-2-en-1-one |
| MolecularFormula | C14H11NO2 |
| Smiles | Oc1cccc(/C=C/C(c2ccncc2)=O)c1 |
| InChI | InChI=1S/C14H11NO2/c16-13-3-1-2-11(10-13)4-5-14(17)12-6-8-15-9-7-12/h1-10,16H |
| InChIK | GCMCCZGESDGTJF-UHFFFAOYSA-N |
| TotalMolweight | 225.246 |
| Molweight | 225.246 |
| MonoisotopicMass | 225.078979 |
| CLogP | 1.9572 |
| CLogS | -2.749 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 182.38 |
| Relative PSA | 0.20348 |
| PolarSurfaceArea | 50.19 |
| Druglikeness | 0.30944 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.64706 |
| Fragments | 1 |
| Non HAtoms | 17 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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