(4Z)-4-(anthracen-9-ylmethylidene)-2-(2-chloro-5-iodophenyl)-1,3-oxazol-5-one
Formula:C24H13NO2ClI
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
(4Z)-4-(anthracen-9-ylmethylidene)-2-(2-chloro-5-iodophenyl)-1,3-oxazol-5-one is not a drug-like molecule.
| MolName | (4Z)-4-(anthracen-9-ylmethylidene)-2-(2-chloro-5-iodophenyl)-1,3-oxazol-5-one |
| MolecularFormula | C24H13NO2ClI |
| Smiles | O=C1OC(c(cc(cc2)I)c2Cl)=N/C1=C\c1c(cccc2)c2cc2ccccc12 |
| InChI | InChI=1S/C24H13ClINO2/c25-21-10-9-16(26)12-20(21)23-27-22(24(28)29-23)13-19-17-7-3-1-5-14(17)11-15-6-2-4-8-18(15)19/h1-13H |
| InChIK | SRBRMLBSTSUEMO-UHFFFAOYSA-N |
| TotalMolweight | 509.725 |
| Molweight | 509.725 |
| MonoisotopicMass | 508.967954 |
| CLogP | 6.0237 |
| CLogS | -8.883 |
| H Acceptors | 3 |
| TotalSurfaceArea | 305.85 |
| Relative PSA | 0.11296 |
| PolarSurfaceArea | 38.66 |
| Druglikeness | 1.4944 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.44828 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 2 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 20 |
| Sp3Atoms | 1 |
| Symmetricatoms | 6 |
| StereoCon |
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