(3Z,6Z)-3,6-bis[(4-chlorophenyl)methylidene]piperazine-2,5-dione
Formula:C18H12N2O2Cl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(3Z,6Z)-3,6-bis[(4-chlorophenyl)methylidene]piperazine-2,5-dione is a drug-like molecule.
| MolName | (3Z,6Z)-3,6-bis[(4-chlorophenyl)methylidene]piperazine-2,5-dione |
| MolecularFormula | C18H12N2O2Cl2 |
| Smiles | O=C(/C(/NC1=O)=C/c(cc2)ccc2Cl)N/C1=C\c(cc1)ccc1Cl |
| InChI | InChI=1S/C18H12Cl2N2O2/c19-13-5-1-11(2-6-13)9-15-17(23)22-16(18(24)21-15)10-12-3-7-14(20)8-4-12/h1-10H,(H,21,24)(H,22,23) |
| InChIK | AOQJMDOQAQNFJY-UHFFFAOYSA-N |
| TotalMolweight | 359.211 |
| Molweight | 359.211 |
| MonoisotopicMass | 358.027582 |
| CLogP | 3.4846 |
| CLogS | -5.492 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 258.2 |
| Relative PSA | 0.18978 |
| PolarSurfaceArea | 58.2 |
| Druglikeness | 3.0405 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.66667 |
| 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 | 14 |
| Amides | 2 |
| StereoCon |
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