(4Z)-4-(anthracen-9-ylmethylidene)-2-(3-fluorophenyl)-1,3-oxazol-5-one
Formula:C24H14NO2F
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
(4Z)-4-(anthracen-9-ylmethylidene)-2-(3-fluorophenyl)-1,3-oxazol-5-one is not a drug-like molecule.
| MolName | (4Z)-4-(anthracen-9-ylmethylidene)-2-(3-fluorophenyl)-1,3-oxazol-5-one |
| MolecularFormula | C24H14NO2F |
| Smiles | O=C1OC(c2cccc(F)c2)=N/C1=C\c1c(cccc2)c2cc2ccccc12 |
| InChI | InChI=1S/C24H14FNO2/c25-18-9-5-8-17(13-18)23-26-22(24(27)28-23)14-21-19-10-3-1-6-15(19)12-16-7-2-4-11-20(16)21/h1-14H |
| InChIK | VLKHJXARYBKGPM-UHFFFAOYSA-N |
| TotalMolweight | 367.378 |
| Molweight | 367.378 |
| MonoisotopicMass | 367.100857 |
| CLogP | 5.0814 |
| CLogS | -7.445 |
| H Acceptors | 3 |
| TotalSurfaceArea | 270.5 |
| Relative PSA | 0.12773 |
| PolarSurfaceArea | 38.66 |
| Druglikeness | -0.50291 |
| 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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