Mol Weight - 160.219
Smiles - C1C(c2cccnc2)=CCNC1
| Property Name | Property Value |
| Mol Name | 3-(1,2,3,6-tetrahydropyridin-4-yl)pyridine |
| Molweight | 160.219 |
| Monoisotopic Mass | 160.100048 |
| Clogp | 0.7234 |
| Clogs | -1.059 |
| H Acceptors | 2 |
| H Donors | 1 |
| Total Surface Area | 135.97 |
| Relative Psa | 0.16496 |
| Polar Surface Area | 24.92 |
| Druglikeness | 0.87144 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Shape Index | 0.66667 |
| Molecular Flexibility | 0.41885 |
| Molecular Complexity | 0.67674 |
| Fragments | 1 |
| Non H Atoms | 12 |
| Non Ch Atoms | 2 |
| Electronegative Atoms | 2 |
| Rotatable Bonds | 1 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3 Atoms | 4 |
| Amines | 1 |
| Alkyl Amines | 1 |
| Aromatic Nitrogens | 1 |
| Basic Nitrogens | 1 |
| Smiles | C1C(c2cccnc2)=CCNC1 |
| InChIKey | InChI=1S/C10H12N2/c1-2-10(8-12-5-1)9-3-6-11-7-4-9/h1-3,5,8,11H,4,6-7H2 |
| InChI | IFBCFXJHNJUIRK-UHFFFAOYSA-N |
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1 — 3-(1,2,3,6-tetrahydropyridin-4-yl)pyridine | 2 — 3-(1,2,3,6-tetrahydropyridin-4-yl)pyridine