2-[(2Z)-2-[(2-bromophenyl)methoxyimino]ethyl]anthracene-9,10-dione
Formula:C23H16NO3Br
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
2-[(2Z)-2-[(2-bromophenyl)methoxyimino]ethyl]anthracene-9,10-dione is not a drug-like molecule.
| MolName | 2-[(2Z)-2-[(2-bromophenyl)methoxyimino]ethyl]anthracene-9,10-dione |
| MolecularFormula | C23H16NO3Br |
| Smiles | O=C(c1c2cccc1)c(ccc(C/C=N\OCc(cccc1)c1Br)c1)c1C2=O |
| InChI | InChI=1S/C23H16BrNO3/c24-21-8-4-1-5-16(21)14-28-25-12-11-15-9-10-19-20(13-15)23(27)18-7-3-2-6-17(18)22(19)26/h1-10,12-13H,11,14H2 |
| InChIK | VZMJONIKGZOERV-UHFFFAOYSA-N |
| TotalMolweight | 434.288 |
| Molweight | 434.288 |
| MonoisotopicMass | 433.031355 |
| CLogP | 5.6219 |
| CLogS | -7.477 |
| H Acceptors | 4 |
| TotalSurfaceArea | 295.69 |
| Relative PSA | 0.16095 |
| PolarSurfaceArea | 55.73 |
| Druglikeness | -1.246 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.60714 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 3 |
| StereoCon |
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