83D

5-[(Z)-2-fluoro-2-(4-hydroxyphenyl)ethenyl]benzene-1,3-diol

Created:	2016-12-20
Last modified:	2017-05-31

Find Related PDB Entry
1 entries where 83D is found as a standalone ligand

Find related ligands:

Similar Ligands (Stereospecific) Similar Ligands (including Stereoisomers) Similar Ligands (Quick Screen) Similar Ligands (Substructure Stereospecific) Similar Ligands (Substructure including Stereoisomers)

Chemical Details
Formal Charge	0
Atom Count	29
Chiral Atom Count	0
Bond Count	30
Aromatic Bond Count	12

2D diagram of 83D

Toggle Hydrogen Toggle Labels

Chemical Component Summary
Name	5-[(Z)-2-fluoro-2-(4-hydroxyphenyl)ethenyl]benzene-1,3-diol
Systematic Name (OpenEye OEToolkits)	5-[(~{Z})-2-fluoranyl-2-(4-hydroxyphenyl)ethenyl]benzene-1,3-diol
Formula	C₁₄ H₁₁ F O₃
Molecular Weight	246.234
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	c1c(cc(cc1O)/C=C(/c2ccc(cc2)O)F)O
SMILES	CACTVS	3.385	Oc1ccc(cc1)C(F)=Cc2cc(O)cc(O)c2
SMILES	OpenEye OEToolkits	2.0.6	c1cc(ccc1C(=Cc2cc(cc(c2)O)O)F)O
Canonical SMILES	CACTVS	3.385	Oc1ccc(cc1)/C(F)=C/c2cc(O)cc(O)c2
Canonical SMILES	OpenEye OEToolkits	2.0.6	c1cc(ccc1/C(=C/c2cc(cc(c2)O)O)/F)O
InChI	InChI	1.03	InChI=1S/C14H11FO3/c15-14(10-1-3-11(16)4-2-10)7-9-5-12(17)8-13(18)6-9/h1-8,16-18H/b14-7-
InChIKey	InChI	1.03	PNBPFKSSWYNPPD-AUWJEWJLSA-N

Related Resource References

Resource Name	Reference
PubChem	67144664

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.