(4Z)-4-(anthracen-9-ylmethylidene)-2-(2-bromophenyl)-1,3-oxazol-5-one
Formula:C24H14NO2Br
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
(4Z)-4-(anthracen-9-ylmethylidene)-2-(2-bromophenyl)-1,3-oxazol-5-one is not a drug-like molecule.
| MolName | (4Z)-4-(anthracen-9-ylmethylidene)-2-(2-bromophenyl)-1,3-oxazol-5-one |
| MolecularFormula | C24H14NO2Br |
| Smiles | O=C1OC(c(cccc2)c2Br)=N/C1=C\c1c(cccc2)c2cc2ccccc12 |
| InChI | InChI=1S/C24H14BrNO2/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 | CVEQXRLSARGPPG-UHFFFAOYSA-N |
| TotalMolweight | 428.284 |
| Molweight | 428.284 |
| MonoisotopicMass | 427.02079 |
| CLogP | 5.7058 |
| CLogS | -7.965 |
| H Acceptors | 3 |
| TotalSurfaceArea | 282.78 |
| Relative PSA | 0.12218 |
| PolarSurfaceArea | 38.66 |
| Druglikeness | -0.95291 |
| 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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