3-[(E)-3-oxo-3-phenylprop-1-enyl]-1,3-benzoxazol-2-one
Formula:C16H11NO3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3-[(E)-3-oxo-3-phenylprop-1-enyl]-1,3-benzoxazol-2-one is a drug-like molecule.
| MolName | 3-[(E)-3-oxo-3-phenylprop-1-enyl]-1,3-benzoxazol-2-one |
| MolecularFormula | C16H11NO3 |
| Smiles | O=C(/C=C/N(c(cccc1)c1O1)C1=O)c1ccccc1 |
| InChI | InChI=1S/C16H11NO3/c18-14(12-6-2-1-3-7-12)10-11-17-13-8-4-5-9-15(13)20-16(17)19/h1-11H |
| InChIK | OZFOOVRZDIWCFO-UHFFFAOYSA-N |
| TotalMolweight | 265.267 |
| Molweight | 265.267 |
| MonoisotopicMass | 265.073894 |
| CLogP | 2.6278 |
| CLogS | -4.602 |
| H Acceptors | 4 |
| TotalSurfaceArea | 201.82 |
| Relative PSA | 0.19636 |
| PolarSurfaceArea | 46.61 |
| Druglikeness | -3.1053 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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1 - 3-[(E)-3-oxo-3-phenylprop-1-enyl]-1,3-benzoxazol-2-one | 2 - 3-[(E)-3-oxo-3-phenylprop-1-enyl]-1,3-benzoxazol-2-one
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