5J2

4-[(E)-[(4-fluorophenyl)imino](4-hydroxyphenyl)methyl]benzene-1,3-diol

Created:	2015-09-28
Last modified:	2016-05-04

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1 entries where 5J2 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	38
Chiral Atom Count	0
Bond Count	40
Aromatic Bond Count	18

2D diagram of 5J2

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Chemical Component Summary
Name	4-[(E)-[(4-fluorophenyl)imino](4-hydroxyphenyl)methyl]benzene-1,3-diol
Systematic Name (OpenEye OEToolkits)	4-[(E)-N-(4-fluorophenyl)-C-(4-hydroxyphenyl)carbonimidoyl]benzene-1,3-diol
Formula	C₁₉ H₁₄ F N O₃
Molecular Weight	323.318
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	Oc1ccc(cc1)\C(=N/c2ccc(F)cc2)c3c(cc(cc3)O)O
SMILES	CACTVS	3.385	Oc1ccc(cc1)C(=Nc2ccc(F)cc2)c3ccc(O)cc3O
SMILES	OpenEye OEToolkits	1.9.2	c1cc(ccc1C(=Nc2ccc(cc2)F)c3ccc(cc3O)O)O
Canonical SMILES	CACTVS	3.385	Oc1ccc(cc1)C(=Nc2ccc(F)cc2)c3ccc(O)cc3O
Canonical SMILES	OpenEye OEToolkits	1.9.2	c1cc(ccc1/C(=N\c2ccc(cc2)F)/c3ccc(cc3O)O)O
InChI	InChI	1.03	InChI=1S/C19H14FNO3/c20-13-3-5-14(6-4-13)21-19(12-1-7-15(22)8-2-12)17-10-9-16(23)11-18(17)24/h1-11,22-24H/b21-19+
InChIKey	InChI	1.03	KZWDEXMYVJJSFV-XUTLUUPISA-N

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.