1-[(E)-2-(1-phenyltetrazol-5-yl)ethenyl]-4-[3-(trifluoromethyl)phenyl]piperazine
Formula:C20H19N6F3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
1-[(E)-2-(1-phenyltetrazol-5-yl)ethenyl]-4-[3-(trifluoromethyl)phenyl]piperazine is a drug-like molecule.
| MolName | 1-[(E)-2-(1-phenyltetrazol-5-yl)ethenyl]-4-[3-(trifluoromethyl)phenyl]piperazine |
| MolecularFormula | C20H19N6F3 |
| Smiles | FC(c1cc(N(CC2)CCN2/C=C/c2nnnn2-c2ccccc2)ccc1)(F)F |
| InChI | InChI=1S/C20H19F3N6/c21-20(22,23)16-5-4-8-18(15-16)28-13-11-27(12-14-28)10-9-19-24-25-26-29(19)17-6-2-1-3-7-17/h1-10,15H,11-14H2 |
| InChIK | LPYIXKQEUAAUIK-UHFFFAOYSA-N |
| TotalMolweight | 400.407 |
| Molweight | 400.407 |
| MonoisotopicMass | 400.162328 |
| CLogP | 2.8051 |
| CLogS | -3.604 |
| H Acceptors | 6 |
| TotalSurfaceArea | 296.36 |
| Relative PSA | 0.15819 |
| PolarSurfaceArea | 50.08 |
| Druglikeness | -2.8211 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.58621 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 6 |
| Symmetricatoms | 6 |
| Amines | 1 |
| Aromatic Amines | 1 |
| Aromatic Nitrogens | 4 |
| StereoCon |
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