2-(3-bromo-4,5-dimethoxyphenyl)-3-[(2,4-dichlorophenyl)methoxy]chromen-4-one
Formula:C24H17O5BrCl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-(3-bromo-4,5-dimethoxyphenyl)-3-[(2,4-dichlorophenyl)methoxy]chromen-4-one is not a drug-like molecule.
| MolName | 2-(3-bromo-4,5-dimethoxyphenyl)-3-[(2,4-dichlorophenyl)methoxy]chromen-4-one |
| MolecularFormula | C24H17O5BrCl2 |
| Smiles | COc1cc(C(Oc(cccc2)c2C2=O)=C2OCc(ccc(Cl)c2)c2Cl)cc(Br)c1OC |
| InChI | InChI=1S/C24H17BrCl2O5/c1-29-20-10-14(9-17(25)23(20)30-2)22-24(21(28)16-5-3-4-6-19(16)32-22)31-12-13-7-8-15(26)11-18(13)27/h3-11H,12H2,1-2H3 |
| InChIK | DZQMYDAVHFVVSA-UHFFFAOYSA-N |
| TotalMolweight | 536.204 |
| Molweight | 536.204 |
| MonoisotopicMass | 533.96364 |
| CLogP | 6.5162 |
| CLogS | -7.468 |
| H Acceptors | 5 |
| TotalSurfaceArea | 347.7 |
| Relative PSA | 0.15255 |
| PolarSurfaceArea | 53.99 |
| Druglikeness | -2.0086 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.46875 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 7 |
| StereoCon |
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1 - 2-(3-bromo-4,5-dimethoxyphenyl)-3-[(2,4-dichlorophenyl)methoxy]chromen-4-one | 2 - 2-(3-bromo-4,5-dimethoxyphenyl)-3-[(2,4-dichlorophenyl)methoxy]chromen-4-one
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