Chemical Name - 1H-pyrrole-1-carboxylicacid
Mol Weight - 111.1
Smiles - OC(n1cccc1)=O
Mol Weight - 111.1
Smiles - OC(n1cccc1)=O
| Property Value | |
| Mol Name | 1H-pyrrole-1-carboxylicacid |
| Molweight | 111.1 |
| Monoisotopic Mass | 111.032029 |
| Clogp | 0.4019 |
| Clogs | -0.946 |
| H Acceptors | 3 |
| H Donors | 1 |
| Total Surface Area | 86.56 |
| Relative Psa | 0.38135 |
| Polar Surface Area | 42.23 |
| Druglikeness | 1.1892 |
| Mutagenic | low |
| Tumorigenic | low |
| Reproductive Effective | low |
| Irritant | none |
| Shape Index | 0.625 |
| Molecular Flexibility | 0.39787 |
| Molecular Complexity | 0.59947 |
| 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 |
| Sp3 Atoms | 1 |
| Symmetric Atoms | 2 |
| Aromatic Nitrogens | 1 |
| Acidic Oxygens | 1 |
| Smiles | OC(n1cccc1)=O |
| InChIKey | InChI=1S/C5H5NO2/c7-5(8)6-3-1-2-4-6/h1-4H,(H,7,8) |
| InChI | FDDQRDMHICUGQC-UHFFFAOYSA-N |
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1 - 1H-pyrrole-1-carboxylicacid
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1 - 1H-pyrrole-1-carboxylicacid
2 - 1H-pyrrole-1-carboxylicacid
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