Chemical Name - 3-Picolyl Chloride
Mol Weight - 127.574
Smiles - ClCc1cnccc1
Mol Weight - 127.574
Smiles - ClCc1cnccc1
| Property Value | |
| Mol Name | 3-Picolyl Chloride |
| Molweight | 127.574 |
| Monoisotopic Mass | 127.018876 |
| Clogp | 1.1928 |
| Clogs | -1.939 |
| H Acceptors | 1 |
| Total Surface Area | 101.2 |
| Relative Psa | 0.1084 |
| Polar Surface Area | 12.89 |
| Druglikeness | -1.9907 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Shape Index | 0.75 |
| Molecular Flexibility | 0.30873 |
| Molecular Complexity | 0.64124 |
| Fragments | 1 |
| Non H Atoms | 8 |
| Non Ch Atoms | 2 |
| Electronegative Atoms | 2 |
| Rotatable Bonds | 1 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3 Atoms | 1 |
| Aromatic Nitrogens | 1 |
| Smiles | ClCc1cnccc1 |
| InChIKey | InChI=1S/C6H6ClN/c7-4-6-2-1-3-8-5-6/h1-3,5H,4H2 |
| InChI | CNQCWYFDIQSALX-UHFFFAOYSA-N |
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1 - 3-Picolyl Chloride
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2 - 3-Picolyl Chloride
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