(E)-1-[4-(4-nitrophenyl)piperazin-1-yl]-3-phenylprop-2-en-1-one
Formula:C19H19N3O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-1-[4-(4-nitrophenyl)piperazin-1-yl]-3-phenylprop-2-en-1-one is a drug-like molecule.
| MolName | (E)-1-[4-(4-nitrophenyl)piperazin-1-yl]-3-phenylprop-2-en-1-one |
| MolecularFormula | C19H19N3O3 |
| Smiles | [O-][N+](c(cc1)ccc1N(CC1)CCN1C(/C=C/c1ccccc1)=O)=O |
| InChI | InChI=1S/C19H19N3O3/c23-19(11-6-16-4-2-1-3-5-16)21-14-12-20(13-15-21)17-7-9-18(10-8-17)22(24)25/h1-11H,12-15H2 |
| InChIK | DRWMKKHVOTZMKW-UHFFFAOYSA-N |
| TotalMolweight | 337.378 |
| Molweight | 337.378 |
| MonoisotopicMass | 337.142642 |
| CLogP | 2.3461 |
| CLogS | -3.503 |
| H Acceptors | 6 |
| TotalSurfaceArea | 263.08 |
| Relative PSA | 0.19218 |
| PolarSurfaceArea | 69.37 |
| Druglikeness | 0.35903 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.68 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 5 |
| Symmetricatoms | 6 |
| Amides | 1 |
| Amines | 1 |
| Aromatic Amines | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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