(Z)-1-[4-(4-nitrophenyl)piperazin-1-yl]-2,3-diphenylprop-2-en-1-one
Formula:C25H23N3O3
Mutagenic:none
Tumorigenic:low
Reproductive Effective:high
(Z)-1-[4-(4-nitrophenyl)piperazin-1-yl]-2,3-diphenylprop-2-en-1-one is a drug-like molecule.
| MolName | (Z)-1-[4-(4-nitrophenyl)piperazin-1-yl]-2,3-diphenylprop-2-en-1-one |
| MolecularFormula | C25H23N3O3 |
| Smiles | [O-][N+](c(cc1)ccc1N(CC1)CCN1C(/C(/c1ccccc1)=C\c1ccccc1)=O)=O |
| InChI | InChI=1S/C25H23N3O3/c29-25(24(21-9-5-2-6-10-21)19-20-7-3-1-4-8-20)27-17-15-26(16-18-27)22-11-13-23(14-12-22)28(30)31/h1-14,19H,15-18H2 |
| InChIK | DHNLBCXSKMIFKS-UHFFFAOYSA-N |
| TotalMolweight | 413.476 |
| Molweight | 413.476 |
| MonoisotopicMass | 413.173942 |
| CLogP | 3.6829 |
| CLogS | -4.46 |
| H Acceptors | 6 |
| TotalSurfaceArea | 321.05 |
| Relative PSA | 0.15748 |
| PolarSurfaceArea | 69.37 |
| Druglikeness | 2.5581 |
| Mutagenic | none |
| Tumorigenic | low |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.54839 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 5 |
| Symmetricatoms | 8 |
| Amides | 1 |
| Amines | 1 |
| Aromatic Amines | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - (Z)-1-[4-(4-nitrophenyl)piperazin-1-yl]-2,3-diphenylprop-2-en-1-one | 2 - (Z)-1-[4-(4-nitrophenyl)piperazin-1-yl]-2,3-diphenylprop-2-en-1-one
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