(E)-1-quinolin-2-yl-3-selenophen-2-ylprop-2-en-1-one
Formula:C16H11NOSe
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-1-quinolin-2-yl-3-selenophen-2-ylprop-2-en-1-one is a drug-like molecule.
| MolName | (E)-1-quinolin-2-yl-3-selenophen-2-ylprop-2-en-1-one |
| MolecularFormula | C16H11NOSe |
| Smiles | O=C(/C=C/c1ccc[se]1)c1nc2ccccc2cc1 |
| InChI | InChI=1S/C16H11NOSe/c18-16(10-8-13-5-3-11-19-13)15-9-7-12-4-1-2-6-14(12)17-15/h1-11H |
| InChIK | BYSPFTHFZQPSCY-UHFFFAOYSA-N |
| TotalMolweight | 312.229 |
| Molweight | 312.229 |
| MonoisotopicMass | 313.000584 |
| CLogP | 3.2254 |
| CLogS | -2.914 |
| H Acceptors | 2 |
| TotalSurfaceArea | 186.21 |
| Relative PSA | 0.12894 |
| PolarSurfaceArea | 29.96 |
| Druglikeness | -2.9104 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | unwanted atom |
| Shape Index | 0.63158 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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