(E)-5-(4-nitrophenyl)-1,3-diphenylpent-2-ene-1,5-dione
Formula:C23H17NO4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
(E)-5-(4-nitrophenyl)-1,3-diphenylpent-2-ene-1,5-dione is a drug-like molecule.
| MolName | (E)-5-(4-nitrophenyl)-1,3-diphenylpent-2-ene-1,5-dione |
| MolecularFormula | C23H17NO4 |
| Smiles | [O-][N+](c(cc1)ccc1C(C/C(/c1ccccc1)=C\C(c1ccccc1)=O)=O)=O |
| InChI | InChI=1S/C23H17NO4/c25-22(18-9-5-2-6-10-18)15-20(17-7-3-1-4-8-17)16-23(26)19-11-13-21(14-12-19)24(27)28/h1-15H,16H2 |
| InChIK | YGKPBNUXWNUZNA-UHFFFAOYSA-N |
| TotalMolweight | 371.391 |
| Molweight | 371.391 |
| MonoisotopicMass | 371.115759 |
| CLogP | 3.6106 |
| CLogS | -5.615 |
| H Acceptors | 5 |
| TotalSurfaceArea | 290.42 |
| Relative PSA | 0.19455 |
| PolarSurfaceArea | 79.96 |
| Druglikeness | -4.5885 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.53571 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 2 |
| Symmetricatoms | 6 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - (E)-5-(4-nitrophenyl)-1,3-diphenylpent-2-ene-1,5-dione | 2 - (E)-5-(4-nitrophenyl)-1,3-diphenylpent-2-ene-1,5-dione
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