(4Z)-2-naphthalen-1-yl-4-[(4-oxochromen-3-yl)methylidene]-1,3-oxazol-5-one
Formula:C23H13NO4
Mutagenic:low
Tumorigenic:high
Reproductive Effective:none
(4Z)-2-naphthalen-1-yl-4-[(4-oxochromen-3-yl)methylidene]-1,3-oxazol-5-one is a drug-like molecule.
| MolName | (4Z)-2-naphthalen-1-yl-4-[(4-oxochromen-3-yl)methylidene]-1,3-oxazol-5-one |
| MolecularFormula | C23H13NO4 |
| Smiles | O=C1OC(c2cccc3ccccc23)=N/C1=C\C1=COc(cccc2)c2C1=O |
| InChI | InChI=1S/C23H13NO4/c25-21-15(13-27-20-11-4-3-9-18(20)21)12-19-23(26)28-22(24-19)17-10-5-7-14-6-1-2-8-16(14)17/h1-13H |
| InChIK | JPEKKAWXLYEBBB-UHFFFAOYSA-N |
| TotalMolweight | 367.359 |
| Molweight | 367.359 |
| MonoisotopicMass | 367.084459 |
| CLogP | 3.5419 |
| CLogS | -6.095 |
| H Acceptors | 5 |
| TotalSurfaceArea | 268.51 |
| Relative PSA | 0.21448 |
| PolarSurfaceArea | 64.96 |
| Druglikeness | 1.6142 |
| Mutagenic | low |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.53571 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 2 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 2 |
| StereoCon |
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