1-(5-chloro-2-methylphenyl)-4-[[1-(2-phenylethyl)tetrazol-5-yl]methyl]piperazine
Formula:C21H25N6Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
1-(5-chloro-2-methylphenyl)-4-[[1-(2-phenylethyl)tetrazol-5-yl]methyl]piperazine is a drug-like molecule.
| MolName | 1-(5-chloro-2-methylphenyl)-4-[[1-(2-phenylethyl)tetrazol-5-yl]methyl]piperazine |
| MolecularFormula | C21H25N6Cl |
| Smiles | Cc(ccc(Cl)c1)c1N1CCN(Cc2nnnn2CCc2ccccc2)CC1 |
| InChI | InChI=1S/C21H25ClN6/c1-17-7-8-19(22)15-20(17)27-13-11-26(12-14-27)16-21-23-24-25-28(21)10-9-18-5-3-2-4-6-18/h2-8,15H,9-14,16H2,1H3 |
| InChIK | FZZOZYOTYDYGHT-UHFFFAOYSA-N |
| TotalMolweight | 396.925 |
| Molweight | 396.925 |
| MonoisotopicMass | 396.182921 |
| CLogP | 3.1855 |
| CLogS | -3.379 |
| H Acceptors | 6 |
| TotalSurfaceArea | 309.36 |
| Relative PSA | 0.15154 |
| PolarSurfaceArea | 50.08 |
| Druglikeness | 5.2592 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.60714 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 10 |
| Symmetricatoms | 4 |
| Amines | 2 |
| AlkylAmines | 1 |
| Aromatic Amines | 1 |
| Aromatic Nitrogens | 4 |
| BasicNitrogens | 1 |
| StereoCon |
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