(3E,6E)-3,6-bis[(2-bromophenyl)methylidene]piperazine-2,5-dione
Formula:C18H12N2O2Br2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(3E,6E)-3,6-bis[(2-bromophenyl)methylidene]piperazine-2,5-dione is a drug-like molecule.
| MolName | (3E,6E)-3,6-bis[(2-bromophenyl)methylidene]piperazine-2,5-dione |
| MolecularFormula | C18H12N2O2Br2 |
| Smiles | O=C(/C(/NC1=O)=C\c(cccc2)c2Br)N/C1=C/c(cccc1)c1Br |
| InChI | InChI=1S/C18H12Br2N2O2/c19-13-7-3-1-5-11(13)9-15-17(23)22-16(18(24)21-15)10-12-6-2-4-8-14(12)20/h1-10H,(H,21,24)(H,22,23) |
| InChIK | YBLGWMONWHZZRC-UHFFFAOYSA-N |
| TotalMolweight | 448.113 |
| Molweight | 448.113 |
| MonoisotopicMass | 445.92655 |
| CLogP | 3.723 |
| CLogS | -5.688 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 264.62 |
| Relative PSA | 0.18517 |
| PolarSurfaceArea | 58.2 |
| Druglikeness | 1.2027 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.58333 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 2 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Symmetricatoms | 12 |
| Amides | 2 |
| StereoCon |
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1 - (3E,6E)-3,6-bis[(2-bromophenyl)methylidene]piperazine-2,5-dione | 2 - (3E,6E)-3,6-bis[(2-bromophenyl)methylidene]piperazine-2,5-dione
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