(E)-1-(5-chloro-2-hydroxyphenyl)-3-quinolin-2-ylprop-2-en-1-one
Formula:C18H12NO2Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-1-(5-chloro-2-hydroxyphenyl)-3-quinolin-2-ylprop-2-en-1-one is a drug-like molecule.
| MolName | (E)-1-(5-chloro-2-hydroxyphenyl)-3-quinolin-2-ylprop-2-en-1-one |
| MolecularFormula | C18H12NO2Cl |
| Smiles | Oc(ccc(Cl)c1)c1C(/C=C/c1nc2ccccc2cc1)=O |
| InChI | InChI=1S/C18H12ClNO2/c19-13-6-9-17(21)15(11-13)18(22)10-8-14-7-5-12-3-1-2-4-16(12)20-14/h1-11,21H |
| InChIK | MOGBASXXMDTQMD-UHFFFAOYSA-N |
| TotalMolweight | 309.751 |
| Molweight | 309.751 |
| MonoisotopicMass | 309.055656 |
| CLogP | 3.9341 |
| CLogS | -5.01 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 232.4 |
| Relative PSA | 0.15968 |
| PolarSurfaceArea | 50.19 |
| Druglikeness | 0.395 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.59091 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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