(E)-3-(1H-Imidazol-5-Yl)Prop-2-Enoic Acid
Representations & DB's id
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| ChEBI: | CHEBI:30817 | |
|---|---|---|
| ChEMBL: | CHEMBL1236602 | |
| PubChem: | 736715 | |
| IUPAC: | (E)-3-(1H-imidazol-5-yl)prop-2-enoic acid | |
| Standard InChI: | InChI=1S/C6H6N2O2/c9-6(10)2-1-5-3-7-4-8-5/h1-4H,(H,7,8)(H,9,10)/b2-1+ | |
| Standard InChI Key: | LOIYMIARKYCTBW-OWOJBTEDSA-N | |
| SMILES: | OC(=O)/C=C/c1cnc[nH]1 | |
Molecular propeties
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| AlogP: | 0.51 | |
|---|---|---|
| Hydrogen bonds acceptors: | 2 | |
| Hydrogen bonds donors: | 2 | |
| Rotatable bonds: | 2 | |
| Number of rings: | 1 | |
| Molecular Weight: | 138.04 | |
| Topological polar surface area: | 66 | |
| Number of aromatic rings: | 1 | |
| Fsp3: | 0 | |
| Number of carbons: | 6 | |