(E)-1,4-bis(3,4-dihydro-2H-quinolin-1-yl)but-2-ene-1,4-dione
Formula:C22H22N2O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-1,4-bis(3,4-dihydro-2H-quinolin-1-yl)but-2-ene-1,4-dione is a drug-like molecule.
| MolName | (E)-1,4-bis(3,4-dihydro-2H-quinolin-1-yl)but-2-ene-1,4-dione |
| MolecularFormula | C22H22N2O2 |
| Smiles | O=C(/C=C/C(N(CCC1)c2c1cccc2)=O)N(CCC1)c2c1cccc2 |
| InChI | InChI=1S/C22H22N2O2/c25-21(23-15-5-9-17-7-1-3-11-19(17)23)13-14-22(26)24-16-6-10-18-8-2-4-12-20(18)24/h1-4,7-8,11-14H,5-6,9-10,15-16H2 |
| InChIK | CCPMQLNGFFJOEA-UHFFFAOYSA-N |
| TotalMolweight | 346.429 |
| Molweight | 346.429 |
| MonoisotopicMass | 346.168128 |
| CLogP | 3.8636 |
| CLogS | -4.434 |
| H Acceptors | 4 |
| TotalSurfaceArea | 271.18 |
| Relative PSA | 0.12235 |
| PolarSurfaceArea | 40.62 |
| Druglikeness | 1.0962 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | low |
| Nasty Functions | |
| Shape Index | 0.53846 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 2 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 6 |
| Symmetricatoms | 13 |
| Amides | 2 |
| StereoCon |
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