7EL

2-chloro-4-[(E)-(hydroxyimino)methyl][1,1'-biphenyl]-3,4'-diol

Created:	2016-10-14
Last modified:	2017-01-18

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1 entries where 7EL is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	28
Chiral Atom Count	0
Bond Count	29
Aromatic Bond Count	12

2D diagram of 7EL

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Chemical Component Summary
Name	2-chloro-4-[(E)-(hydroxyimino)methyl][1,1'-biphenyl]-3,4'-diol
Systematic Name (OpenEye OEToolkits)	2-chloranyl-6-[(~{E})-hydroxyiminomethyl]-3-(4-hydroxyphenyl)phenol
Formula	C₁₃ H₁₀ Cl N O₃
Molecular Weight	263.676
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	Oc2ccc(c1c(c(O)c([C@H]=NO)cc1)Cl)cc2
SMILES	CACTVS	3.385	ON=Cc1ccc(c2ccc(O)cc2)c(Cl)c1O
SMILES	OpenEye OEToolkits	2.0.6	c1cc(ccc1c2ccc(c(c2Cl)O)C=NO)O
Canonical SMILES	CACTVS	3.385	O\N=C\c1ccc(c2ccc(O)cc2)c(Cl)c1O
Canonical SMILES	OpenEye OEToolkits	2.0.6	c1cc(ccc1c2ccc(c(c2Cl)O)/C=N/O)O
InChI	InChI	1.03	InChI=1S/C13H10ClNO3/c14-12-11(8-1-4-10(16)5-2-8)6-3-9(7-15-18)13(12)17/h1-7,16-18H/b15-7+
InChIKey	InChI	1.03	UPNYTTDLLBLJGJ-VIZOYTHASA-N

Related Resource References

Resource Name	Reference
Pharos	CHEMBL405154
PubChem	135567290
ChEMBL	CHEMBL405154

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