1-[(E)-2-[1-(4-chlorophenyl)tetrazol-5-yl]ethenyl]piperidine
Formula:C14H16N5Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
1-[(E)-2-[1-(4-chlorophenyl)tetrazol-5-yl]ethenyl]piperidine is a drug-like molecule.
| MolName | 1-[(E)-2-[1-(4-chlorophenyl)tetrazol-5-yl]ethenyl]piperidine |
| MolecularFormula | C14H16N5Cl |
| Smiles | Clc(cc1)ccc1-n1nnnc1/C=C/N1CCCCC1 |
| InChI | InChI=1S/C14H16ClN5/c15-12-4-6-13(7-5-12)20-14(16-17-18-20)8-11-19-9-2-1-3-10-19/h4-8,11H,1-3,9-10H2 |
| InChIK | YSGOMLKUUHOXJG-UHFFFAOYSA-N |
| TotalMolweight | 289.769 |
| Molweight | 289.769 |
| MonoisotopicMass | 289.109422 |
| CLogP | 2.1222 |
| CLogS | -3.104 |
| H Acceptors | 5 |
| TotalSurfaceArea | 226.02 |
| Relative PSA | 0.19171 |
| PolarSurfaceArea | 46.84 |
| Druglikeness | 0.50408 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.65 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 6 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 4 |
| StereoCon |
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