(Z)-2-amino-1,4-diphenylbut-2-ene-1,4-dione
Formula:C16H13NO2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(Z)-2-amino-1,4-diphenylbut-2-ene-1,4-dione is a drug-like molecule.
| MolName | (Z)-2-amino-1,4-diphenylbut-2-ene-1,4-dione |
| MolecularFormula | C16H13NO2 |
| Smiles | N/C(/C(c1ccccc1)=O)=C\C(c1ccccc1)=O |
| InChI | InChI=1S/C16H13NO2/c17-14(16(19)13-9-5-2-6-10-13)11-15(18)12-7-3-1-4-8-12/h1-11H,17H2 |
| InChIK | BDGHULKJYZFEBV-UHFFFAOYSA-N |
| TotalMolweight | 251.284 |
| Molweight | 251.284 |
| MonoisotopicMass | 251.094629 |
| CLogP | 2.1765 |
| CLogS | -3.935 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 201.75 |
| Relative PSA | 0.20496 |
| PolarSurfaceArea | 60.16 |
| Druglikeness | -0.49416 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.63158 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Symmetricatoms | 4 |
| StereoCon |
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1 - (Z)-2-amino-1,4-diphenylbut-2-ene-1,4-dione | 2 - (Z)-2-amino-1,4-diphenylbut-2-ene-1,4-dione
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