Chemical Name - Pyrrole-2-carbonylchloride
Mol Weight - 129.546
Smiles - O=C(c1ccc[nH]1)Cl
Mol Weight - 129.546
Smiles - O=C(c1ccc[nH]1)Cl
| Property Value | |
| Mol Name | Pyrrole-2-carbonylchloride |
| Molweight | 129.546 |
| Monoisotopic Mass | 128.998141 |
| Clogp | 0.3593 |
| Clogs | -2.01 |
| H Acceptors | 2 |
| H Donors | 1 |
| Total Surface Area | 96 |
| Relative Psa | 0.28156 |
| Polar Surface Area | 32.86 |
| Druglikeness | -7.8559 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | low |
| Shape Index | 0.625 |
| Molecular Flexibility | 0.46471 |
| Molecular Complexity | 0.7083 |
| Fragments | 1 |
| Non H Atoms | 8 |
| Non Ch Atoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bonds | 1 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 5 |
| Aromatic Nitrogens | 1 |
| Smiles | O=C(c1ccc[nH]1)Cl |
| InChIKey | InChI=1S/C5H4ClNO/c6-5(8)4-2-1-3-7-4/h1-3,7H |
| InChI | SFGNNBCWQOIVAZ-UHFFFAOYSA-N |
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