(E)-2-(1,3-benzoxazol-2-yl)-1,3-diphenylprop-2-en-1-one
Formula:C22H15NO2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-2-(1,3-benzoxazol-2-yl)-1,3-diphenylprop-2-en-1-one is a drug-like molecule.
| MolName | (E)-2-(1,3-benzoxazol-2-yl)-1,3-diphenylprop-2-en-1-one |
| MolecularFormula | C22H15NO2 |
| Smiles | O=C(/C(/c1nc(cccc2)c2o1)=C/c1ccccc1)c1ccccc1 |
| InChI | InChI=1S/C22H15NO2/c24-21(17-11-5-2-6-12-17)18(15-16-9-3-1-4-10-16)22-23-19-13-7-8-14-20(19)25-22/h1-15H |
| InChIK | GEWOTBHVOVAWPD-UHFFFAOYSA-N |
| TotalMolweight | 325.366 |
| Molweight | 325.366 |
| MonoisotopicMass | 325.110279 |
| CLogP | 4.5419 |
| CLogS | -4.926 |
| H Acceptors | 3 |
| TotalSurfaceArea | 258.29 |
| Relative PSA | 0.14759 |
| PolarSurfaceArea | 43.1 |
| Druglikeness | 1.1776 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.44 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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