Mol Weight - 217.698
Smiles - Clc1cc(CCc2cnccc2)ccc1
| Property Name | Property Value |
| Mol Name | 3-(3-Chlorophenethyl) Pyridine |
| Molweight | 217.698 |
| Monoisotopic Mass | 217.065826 |
| Clogp | 3.4661 |
| Clogs | -3.195 |
| H Acceptors | 1 |
| Total Surface Area | 174.72 |
| Relative Psa | 0.062786 |
| Polar Surface Area | 12.89 |
| Druglikeness | -2.835 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Shape Index | 0.66667 |
| Molecular Flexibility | 0.51239 |
| Molecular Complexity | 0.58251 |
| Fragments | 1 |
| Non H Atoms | 15 |
| Non Ch Atoms | 2 |
| Electronegative Atoms | 2 |
| Rotatable Bonds | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3 Atoms | 2 |
| Aromatic Nitrogens | 1 |
| Smiles | Clc1cc(CCc2cnccc2)ccc1 |
| InChIKey | InChI=1S/C13H12ClN/c14-13-5-1-3-11(9-13)6-7-12-4-2-8-15-10-12/h1-5,8-10H,6-7H2 |
| InChI | CJWNRACOMOLTCH-UHFFFAOYSA-N |
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1 — 3-(3-Chlorophenethyl) Pyridine | 2 — 3-(3-Chlorophenethyl) Pyridine