Oroidin
Representations & DB's id
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| ChEBI: | CHEBI:70037 | |
|---|---|---|
| ChEMBL: | CHEMBL397591 | |
| PubChem: | 6312649 | |
| IUPAC: | N-[(E)-3-(2-amino-1H-imidazol-5-yl)prop-2-enyl]-4,5-dibromo-1H-pyrrole-2-carboxamide | |
| Standard InChI: | InChI=1S/C11H11Br2N5O/c12-7-4-8(18-9(7)13)10(19)15-3-1-2-6-5-16-11(14)17-6/h1-2,4-5,18H,3H2,(H,15,19)(H3,14,16,17)/b2-1+ | |
| Standard InChI Key: | QKJAXHBFQSBDAR-OWOJBTEDSA-N | |
| SMILES: | N=c1[nH]cc([nH]1)/C=C/CNC(=O)c1[nH]c(c(c1)Br)Br | |
Molecular propeties
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| AlogP: | 2.29 | |
|---|---|---|
| Hydrogen bonds acceptors: | 3 | |
| Hydrogen bonds donors: | 4 | |
| Rotatable bonds: | 4 | |
| Number of rings: | 2 | |
| Molecular Weight: | 386.93 | |
| Topological polar surface area: | 99.6 | |
| Number of aromatic rings: | 2 | |
| Fsp3: | 0.091 | |
| Number of carbons: | 11 | |