2-[(E)-2-phenylethenyl]-1,3-benzoxazin-4-one
Formula:C16H11NO2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[(E)-2-phenylethenyl]-1,3-benzoxazin-4-one is a drug-like molecule.
| MolName | 2-[(E)-2-phenylethenyl]-1,3-benzoxazin-4-one |
| MolecularFormula | C16H11NO2 |
| Smiles | O=C1N=C(/C=C/c2ccccc2)Oc2c1cccc2 |
| InChI | InChI=1S/C16H11NO2/c18-16-13-8-4-5-9-14(13)19-15(17-16)11-10-12-6-2-1-3-7-12/h1-11H |
| InChIK | SXESHCRJBGRRJP-UHFFFAOYSA-N |
| TotalMolweight | 249.268 |
| Molweight | 249.268 |
| MonoisotopicMass | 249.078979 |
| CLogP | 2.9968 |
| CLogS | -3.878 |
| H Acceptors | 3 |
| TotalSurfaceArea | 196.74 |
| Relative PSA | 0.17561 |
| PolarSurfaceArea | 38.66 |
| Druglikeness | 0.46318 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.63158 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 2 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| StereoCon |
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