1-[(E)-2-[1-(4-chlorophenyl)tetrazol-5-yl]ethenyl]-4-[3-(trifluoromethyl)phenyl]piperazine
Formula:C20H18N6ClF3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
1-[(E)-2-[1-(4-chlorophenyl)tetrazol-5-yl]ethenyl]-4-[3-(trifluoromethyl)phenyl]piperazine is a drug-like molecule.
| MolName | 1-[(E)-2-[1-(4-chlorophenyl)tetrazol-5-yl]ethenyl]-4-[3-(trifluoromethyl)phenyl]piperazine |
| MolecularFormula | C20H18N6ClF3 |
| Smiles | FC(c1cccc(N(CC2)CCN2/C=C/c2nnnn2-c(cc2)ccc2Cl)c1)(F)F |
| InChI | InChI=1S/C20H18ClF3N6/c21-16-4-6-17(7-5-16)30-19(25-26-27-30)8-9-28-10-12-29(13-11-28)18-3-1-2-15(14-18)20(22,23)24/h1-9,14H,10-13H2 |
| InChIK | TUCFVXMKVSGPCE-UHFFFAOYSA-N |
| TotalMolweight | 434.852 |
| Molweight | 434.852 |
| MonoisotopicMass | 434.123355 |
| CLogP | 3.4111 |
| CLogS | -4.34 |
| H Acceptors | 6 |
| TotalSurfaceArea | 311.78 |
| Relative PSA | 0.15036 |
| PolarSurfaceArea | 50.08 |
| Druglikeness | -2.8435 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| 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 |
Click to Load Molecule:
1 - 1-[(E)-2-[1-(4-chlorophenyl)tetrazol-5-yl]ethenyl]-4-[3-(trifluoromethyl)phenyl]piperazine | 2 - 1-[(E)-2-[1-(4-chlorophenyl)tetrazol-5-yl]ethenyl]-4-[3-(trifluoromethyl)phenyl]piperazine
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off