Chemical Name - 2,3,4,5-Tetramethyl-1H-pyrrole
Mol Weight - 123.198
Smiles - Cc1c(C)[nH]c(C)c1C
Mol Weight - 123.198
Smiles - Cc1c(C)[nH]c(C)c1C
| Property Value | |
| Mol Name | 2,3,4,5-Tetramethyl-1H-pyrrole |
| Molweight | 123.198 |
| Monoisotopic Mass | 123.104799 |
| Clogp | 1.8657 |
| Clogs | -2.064 |
| H Acceptors | 1 |
| H Donors | 1 |
| Total Surface Area | 111.87 |
| Relative Psa | 0.12506 |
| Polar Surface Area | 15.79 |
| Druglikeness | -1.68 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Shape Index | 0.55556 |
| Molecular Complexity | 0.78387 |
| Fragments | 1 |
| Non H Atoms | 9 |
| Non Ch Atoms | 1 |
| Electronegative Atoms | 1 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 5 |
| Sp3 Atoms | 4 |
| Symmetric Atoms | 4 |
| Aromatic Nitrogens | 1 |
| Smiles | Cc1c(C)[nH]c(C)c1C |
| InChIKey | InChI=1S/C8H13N/c1-5-6(2)8(4)9-7(5)3/h9H,1-4H3 |
| InChI | BDXJANJAHYKTMI-UHFFFAOYSA-N |
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1 - 2,3,4,5-Tetramethyl-1H-pyrrole
2 - 2,3,4,5-Tetramethyl-1H-pyrrole
1 - 2,3,4,5-Tetramethyl-1H-pyrrole
2 - 2,3,4,5-Tetramethyl-1H-pyrrole
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