Mol Weight - 159.231
Smiles - C1C(c2ccccc2)=CCNC1.Cl
InChI - POGWXTJNUCZEPR-UHFFFAOYSA-N
InChIKey - InChI=1S/C11H13N.ClH/c1-2-4-10(5-3-1)11-6-8-12-9-7-11;/h1-6,12H,7-9H2;1H
| Property Name | Property Value |
| Mol Name | 4-Phenyl-1,2,3,6-tetrahydropyridine hydrochloride |
| Molweight | 159.231 |
| Monoisotopic Mass | 159.104799 |
| Clogp | 1.7243 |
| Clogs | -1.854 |
| H Acceptors | 1 |
| H Donors | 1 |
| Total Surface Area | 137.21 |
| Relative Psa | 0.083522 |
| Polar Surface Area | 12.03 |
| Druglikeness | 0.87144 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Shape Index | 0.66667 |
| Molecular Flexibility | 0.41885 |
| Molecular Complexity | 0.59725 |
| Fragments | 2 |
| Non H Atoms | 12 |
| Non Ch Atoms | 1 |
| Electronegative Atoms | 1 |
| Rotatable Bonds | 1 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3 Atoms | 4 |
| Symmetric Atoms | 2 |
| Amines | 1 |
| Alkyl Amines | 1 |
| Basic Nitrogens | 1 |
| Smiles | C1C(c2ccccc2)=CCNC1.Cl |
| InChIKey | InChI=1S/C11H13N.ClH/c1-2-4-10(5-3-1)11-6-8-12-9-7-11;/h1-6,12H,7-9H2;1H |
| InChI | POGWXTJNUCZEPR-UHFFFAOYSA-N |
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1 — 4-Phenyl-1,2,3,6-tetrahydropyridine hydrochloride | 2 — 4-Phenyl-1,2,3,6-tetrahydropyridine hydrochloride