1-(4-nitrophenyl)-4-[(E)-2-phenylethenyl]sulfonylpiperazine
Formula:C18H19N3O4S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
1-(4-nitrophenyl)-4-[(E)-2-phenylethenyl]sulfonylpiperazine is a drug-like molecule.
| MolName | 1-(4-nitrophenyl)-4-[(E)-2-phenylethenyl]sulfonylpiperazine |
| MolecularFormula | C18H19N3O4S |
| Smiles | [O-][N+](c(cc1)ccc1N(CC1)CCN1S(/C=C/c1ccccc1)(=O)=O)=O |
| InChI | InChI=1S/C18H19N3O4S/c22-21(23)18-8-6-17(7-9-18)19-11-13-20(14-12-19)26(24,25)15-10-16-4-2-1-3-5-16/h1-10,15H,11-14H2 |
| InChIK | DCAJIQOBDLQMJU-UHFFFAOYSA-N |
| TotalMolweight | 373.432 |
| Molweight | 373.432 |
| MonoisotopicMass | 373.109627 |
| CLogP | 1.9113 |
| CLogS | -4.059 |
| H Acceptors | 7 |
| TotalSurfaceArea | 273.91 |
| Relative PSA | 0.24132 |
| PolarSurfaceArea | 94.82 |
| Druglikeness | -7.9033 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.65385 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 6 |
| Symmetricatoms | 7 |
| Amides | 1 |
| Amines | 1 |
| Aromatic Amines | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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