(4Z)-4-(anthracen-9-ylmethylidene)-3-(4-chlorophenyl)-1,2-oxazol-5-one
Formula:C24H14NO2Cl
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
(4Z)-4-(anthracen-9-ylmethylidene)-3-(4-chlorophenyl)-1,2-oxazol-5-one is not a drug-like molecule.
| MolName | (4Z)-4-(anthracen-9-ylmethylidene)-3-(4-chlorophenyl)-1,2-oxazol-5-one |
| MolecularFormula | C24H14NO2Cl |
| Smiles | O=C(/C1=C\c2c(cccc3)c3cc3ccccc23)ON=C1c(cc1)ccc1Cl |
| InChI | InChI=1S/C24H14ClNO2/c25-18-11-9-15(10-12-18)23-22(24(27)28-26-23)14-21-19-7-3-1-5-16(19)13-17-6-2-4-8-20(17)21/h1-14H |
| InChIK | AJZLPRNGSRKHSB-UHFFFAOYSA-N |
| TotalMolweight | 383.833 |
| Molweight | 383.833 |
| MonoisotopicMass | 383.071306 |
| CLogP | 6.7855 |
| CLogS | -8.119 |
| H Acceptors | 3 |
| TotalSurfaceArea | 279.57 |
| Relative PSA | 0.12358 |
| PolarSurfaceArea | 38.66 |
| Druglikeness | -1.2408 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | twice activated DB |
| 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 | 8 |
| StereoCon |
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