(E)-2-(1,3-benzoxazol-2-yl)-3-(furan-2-yl)-1-phenylprop-2-en-1-one
Formula:C20H13NO3
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
(E)-2-(1,3-benzoxazol-2-yl)-3-(furan-2-yl)-1-phenylprop-2-en-1-one is a drug-like molecule.
| MolName | (E)-2-(1,3-benzoxazol-2-yl)-3-(furan-2-yl)-1-phenylprop-2-en-1-one |
| MolecularFormula | C20H13NO3 |
| Smiles | O=C(/C(/c1nc(cccc2)c2o1)=C/c1ccco1)c1ccccc1 |
| InChI | InChI=1S/C20H13NO3/c22-19(14-7-2-1-3-8-14)16(13-15-9-6-12-23-15)20-21-17-10-4-5-11-18(17)24-20/h1-13H |
| InChIK | NKSZWYYFSALITI-UHFFFAOYSA-N |
| TotalMolweight | 315.327 |
| Molweight | 315.327 |
| MonoisotopicMass | 315.089544 |
| CLogP | 3.7306 |
| CLogS | -4.608 |
| H Acceptors | 4 |
| TotalSurfaceArea | 247.98 |
| Relative PSA | 0.21062 |
| PolarSurfaceArea | 56.24 |
| Druglikeness | 0.84065 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.45833 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 20 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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