(2E,5E)-2,5-bis[(3,5-dibromo-2-hydroxyphenyl)methylidene]cyclopentan-1-one
Formula:C19H12O3Br4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
(2E,5E)-2,5-bis[(3,5-dibromo-2-hydroxyphenyl)methylidene]cyclopentan-1-one is not a drug-like molecule.
| MolName | (2E,5E)-2,5-bis[(3,5-dibromo-2-hydroxyphenyl)methylidene]cyclopentan-1-one |
| MolecularFormula | C19H12O3Br4 |
| Smiles | Oc(c(Br)c1)c(/C=C(\CC/C2=C\c3cc(Br)cc(Br)c3O)/C2=O)cc1Br |
| InChI | InChI=1S/C19H12Br4O3/c20-13-5-11(18(25)15(22)7-13)3-9-1-2-10(17(9)24)4-12-6-14(21)8-16(23)19(12)26/h3-8,25-26H,1-2H2 |
| InChIK | KNTODSPKTQNBLZ-UHFFFAOYSA-N |
| TotalMolweight | 607.917 |
| Molweight | 607.917 |
| MonoisotopicMass | 603.751989 |
| CLogP | 6.7054 |
| CLogS | -7.064 |
| H Acceptors | 3 |
| H Donors | 2 |
| TotalSurfaceArea | 301.43 |
| Relative PSA | 0.13018 |
| PolarSurfaceArea | 57.53 |
| Druglikeness | -2.0135 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 2 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 4 |
| Symmetricatoms | 12 |
| StereoCon |
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