(3Z,5E)-1-benzyl-3,5-bis[(3-bromophenyl)methylidene]piperidin-4-one
Formula:C26H21NOBr2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(3Z,5E)-1-benzyl-3,5-bis[(3-bromophenyl)methylidene]piperidin-4-one is not a drug-like molecule.
| MolName | (3Z,5E)-1-benzyl-3,5-bis[(3-bromophenyl)methylidene]piperidin-4-one |
| MolecularFormula | C26H21NOBr2 |
| Smiles | O=C(/C(/CN(Cc1ccccc1)C1)=C/c2cc(Br)ccc2)/C1=C\c1cccc(Br)c1 |
| InChI | InChI=1S/C26H21Br2NO/c27-24-10-4-8-20(14-24)12-22-17-29(16-19-6-2-1-3-7-19)18-23(26(22)30)13-21-9-5-11-25(28)15-21/h1-15H,16-18H2 |
| InChIK | ZMOQKKYNUHULNB-UHFFFAOYSA-N |
| TotalMolweight | 523.267 |
| Molweight | 523.267 |
| MonoisotopicMass | 520.998986 |
| CLogP | 6.6519 |
| CLogS | -6.194 |
| H Acceptors | 2 |
| TotalSurfaceArea | 335.29 |
| Relative PSA | 0.04948 |
| PolarSurfaceArea | 20.31 |
| Druglikeness | 1.8933 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.43333 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 4 |
| Symmetricatoms | 2 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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