PDB CCD ID: | BVB |
Number of entries in BioLiP: | 2 |
Chemical formula: | C14 H11 Br O2 |
InChI: | InChI=1S/C14H11BrO2/c15-12-5-3-10(4-6-12)1-2-11-7-13(16)9-14(17)8-11/h1-9,16-17H/b2-1+ |
InChIKey: | NCJVLKFAQIWASE-OWOJBTEDSA-N |
SMILES: | Software | SMILES |
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OpenEye OEToolkits 1.7.6 | c1cc(ccc1/C=C/c2cc(cc(c2)O)O)Br | CACTVS 3.385 | Oc1cc(O)cc(C=Cc2ccc(Br)cc2)c1 | ACDLabs 12.01 | Brc2ccc(/C=C/c1cc(O)cc(O)c1)cc2 | OpenEye OEToolkits 1.7.6 | c1cc(ccc1C=Cc2cc(cc(c2)O)O)Br | CACTVS 3.385 | Oc1cc(O)cc(/C=C/c2ccc(Br)cc2)c1 |
|
Name: | 5-[(E)-2-(4-bromophenyl)ethenyl]benzene-1,3-diol |
ChEMBL: | CHEMBL2208038 |
ZINC: | ZINC000002561223 |