(4E)-4-(anthracen-9-ylmethylidene)-2-(2-iodophenyl)-1,3-oxazol-5-one
Formula:C24H14NO2I
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
(4E)-4-(anthracen-9-ylmethylidene)-2-(2-iodophenyl)-1,3-oxazol-5-one is not a drug-like molecule.
| MolName | (4E)-4-(anthracen-9-ylmethylidene)-2-(2-iodophenyl)-1,3-oxazol-5-one |
| MolecularFormula | C24H14NO2I |
| Smiles | O=C1OC(c(cccc2)c2I)=N/C1=C/c1c(cccc2)c2cc2ccccc12 |
| InChI | InChI=1S/C24H14INO2/c25-21-12-6-5-11-19(21)23-26-22(24(27)28-23)14-20-17-9-3-1-7-15(17)13-16-8-2-4-10-18(16)20/h1-14H |
| InChIK | MDZPIAASAATONR-UHFFFAOYSA-N |
| TotalMolweight | 475.28 |
| Molweight | 475.28 |
| MonoisotopicMass | 475.006927 |
| CLogP | 5.4177 |
| CLogS | -8.147 |
| H Acceptors | 3 |
| TotalSurfaceArea | 290.43 |
| Relative PSA | 0.11896 |
| PolarSurfaceArea | 38.66 |
| Druglikeness | 1.4082 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.46429 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 2 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 20 |
| Sp3Atoms | 1 |
| Symmetricatoms | 6 |
| StereoCon |
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