(4Z)-2-phenyl-4-[(2-phenylmethoxynaphthalen-1-yl)methylidene]-1,3-oxazol-5-one
Formula:C27H19NO3
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
(4Z)-2-phenyl-4-[(2-phenylmethoxynaphthalen-1-yl)methylidene]-1,3-oxazol-5-one is not a drug-like molecule.
| MolName | (4Z)-2-phenyl-4-[(2-phenylmethoxynaphthalen-1-yl)methylidene]-1,3-oxazol-5-one |
| MolecularFormula | C27H19NO3 |
| Smiles | O=C1OC(c2ccccc2)=N/C1=C\c(c1ccccc1cc1)c1OCc1ccccc1 |
| InChI | InChI=1S/C27H19NO3/c29-27-24(28-26(31-27)21-12-5-2-6-13-21)17-23-22-14-8-7-11-20(22)15-16-25(23)30-18-19-9-3-1-4-10-19/h1-17H,18H2 |
| InChIK | FNGNZJDIOKNVPP-UHFFFAOYSA-N |
| TotalMolweight | 405.452 |
| Molweight | 405.452 |
| MonoisotopicMass | 405.136494 |
| CLogP | 5.1343 |
| CLogS | -6.866 |
| H Acceptors | 4 |
| TotalSurfaceArea | 313.07 |
| Relative PSA | 0.1423 |
| PolarSurfaceArea | 47.89 |
| Druglikeness | 0.70705 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.51613 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 5 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 22 |
| Sp3Atoms | 3 |
| Symmetricatoms | 4 |
| StereoCon |
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