1-(3-chlorophenyl)-4-[(E)-2-[1-(4-chlorophenyl)tetrazol-5-yl]ethenyl]piperazine
Formula:C19H18N6Cl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
1-(3-chlorophenyl)-4-[(E)-2-[1-(4-chlorophenyl)tetrazol-5-yl]ethenyl]piperazine is a drug-like molecule.
| MolName | 1-(3-chlorophenyl)-4-[(E)-2-[1-(4-chlorophenyl)tetrazol-5-yl]ethenyl]piperazine |
| MolecularFormula | C19H18N6Cl2 |
| Smiles | Clc(cc1)ccc1-n1nnnc1/C=C/N(CC1)CCN1c1cccc(Cl)c1 |
| InChI | InChI=1S/C19H18Cl2N6/c20-15-4-6-17(7-5-15)27-19(22-23-24-27)8-9-25-10-12-26(13-11-25)18-3-1-2-16(21)14-18/h1-9,14H,10-13H2 |
| InChIK | YVRNLONSODWRKT-UHFFFAOYSA-N |
| TotalMolweight | 401.3 |
| Molweight | 401.3 |
| MonoisotopicMass | 400.096998 |
| CLogP | 3.1688 |
| CLogS | -4.298 |
| H Acceptors | 6 |
| TotalSurfaceArea | 297.74 |
| Relative PSA | 0.15745 |
| PolarSurfaceArea | 50.08 |
| Druglikeness | 4.3465 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.62963 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 5 |
| Symmetricatoms | 4 |
| Amines | 1 |
| Aromatic Amines | 1 |
| Aromatic Nitrogens | 4 |
| StereoCon |
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