(4E)-2-(4-iodophenyl)-4-(naphthalen-1-ylmethylidene)-1,3-oxazol-5-one
Formula:C20H12NO2I
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
(4E)-2-(4-iodophenyl)-4-(naphthalen-1-ylmethylidene)-1,3-oxazol-5-one is a drug-like molecule.
| MolName | (4E)-2-(4-iodophenyl)-4-(naphthalen-1-ylmethylidene)-1,3-oxazol-5-one |
| MolecularFormula | C20H12NO2I |
| Smiles | O=C1OC(c(cc2)ccc2I)=N/C1=C/c1cccc2ccccc12 |
| InChI | InChI=1S/C20H12INO2/c21-16-10-8-14(9-11-16)19-22-18(20(23)24-19)12-15-6-3-5-13-4-1-2-7-17(13)15/h1-12H |
| InChIK | JVBFPWJLZXHJRP-UHFFFAOYSA-N |
| TotalMolweight | 425.22 |
| Molweight | 425.22 |
| MonoisotopicMass | 424.991277 |
| CLogP | 4.2233 |
| CLogS | -6.541 |
| H Acceptors | 3 |
| TotalSurfaceArea | 255.83 |
| Relative PSA | 0.13505 |
| PolarSurfaceArea | 38.66 |
| Druglikeness | 1.4082 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.58333 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 2 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| StereoCon |
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