(2Z)-6-[(4-nitrophenyl)methoxy]-2-[(E)-3-phenylprop-2-enylidene]-1-benzofuran-3-one
Formula:C24H17NO5
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(2Z)-6-[(4-nitrophenyl)methoxy]-2-[(E)-3-phenylprop-2-enylidene]-1-benzofuran-3-one is a drug-like molecule.
| MolName | (2Z)-6-[(4-nitrophenyl)methoxy]-2-[(E)-3-phenylprop-2-enylidene]-1-benzofuran-3-one |
| MolecularFormula | C24H17NO5 |
| Smiles | [O-][N+](c1ccc(COc(cc2)cc(O/C3=C\C=C\c4ccccc4)c2C3=O)cc1)=O |
| InChI | InChI=1S/C24H17NO5/c26-24-21-14-13-20(29-16-18-9-11-19(12-10-18)25(27)28)15-23(21)30-22(24)8-4-7-17-5-2-1-3-6-17/h1-15H,16H2 |
| InChIK | BLPYYLUAQJMZIV-UHFFFAOYSA-N |
| TotalMolweight | 399.401 |
| Molweight | 399.401 |
| MonoisotopicMass | 399.110674 |
| CLogP | 4.4017 |
| CLogS | -6.255 |
| H Acceptors | 6 |
| TotalSurfaceArea | 305.67 |
| Relative PSA | 0.20761 |
| PolarSurfaceArea | 81.35 |
| Druglikeness | -4.8235 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 4 |
| Symmetricatoms | 4 |
| AcidicOxygens | 1 |
| StereoCon |
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