(E)-1-(3,5-dichloro-2-hydroxyphenyl)-3-pyridin-2-ylprop-2-en-1-one
Formula:C14H9NO2Cl2
Mutagenic:none
Tumorigenic:high
Reproductive Effective:high
(E)-1-(3,5-dichloro-2-hydroxyphenyl)-3-pyridin-2-ylprop-2-en-1-one is a drug-like molecule.
| MolName | (E)-1-(3,5-dichloro-2-hydroxyphenyl)-3-pyridin-2-ylprop-2-en-1-one |
| MolecularFormula | C14H9NO2Cl2 |
| Smiles | Oc(c(C(/C=C/c1ncccc1)=O)cc(Cl)c1)c1Cl |
| InChI | InChI=1S/C14H9Cl2NO2/c15-9-7-11(14(19)12(16)8-9)13(18)5-4-10-3-1-2-6-17-10/h1-8,19H |
| InChIK | XYDGLNDCTUQBAE-UHFFFAOYSA-N |
| TotalMolweight | 294.136 |
| Molweight | 294.136 |
| MonoisotopicMass | 293.001033 |
| CLogP | 3.2232 |
| CLogS | -4.245 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 213.22 |
| Relative PSA | 0.17405 |
| PolarSurfaceArea | 50.19 |
| Druglikeness | 0.395 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.57895 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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