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Summary Geometry Related PDB entries

4AJ

Summary

Name:	2,6-dichloro-4-[5-(3-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]phenol
Formula:	C14 H8 Cl2 N2 O3
Formal charge:	0
Formula weight:	323.131 Da
Component type:	NON-POLYMER

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	2,6-dichloro-4-[5-(3-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]phenol
OpenEye OEToolkits	1.9.2	2,6-bis(chloranyl)-4-[5-(3-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]phenol

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	Clc3c(O)c(Cl)cc(c1nnc(o1)c2cccc(O)c2)c3
InChI	InChI	1.03	InChI=1S/C14H8Cl2N2O3/c15-10-5-8(6-11(16)12(10)20)14-18-17-13(21-14)7-2-1-3-9(19)4-7/h1-6,19-20H
InChIKey	InChI	1.03	XNFPUJQYKUISED-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	Oc1cccc(c1)c2oc(nn2)c3cc(Cl)c(O)c(Cl)c3
SMILES	CACTVS	3.385	Oc1cccc(c1)c2oc(nn2)c3cc(Cl)c(O)c(Cl)c3
SMILES_CANONICAL	OpenEye OEToolkits	1.9.2	c1cc(cc(c1)O)c2nnc(o2)c3cc(c(c(c3)Cl)O)Cl
SMILES	OpenEye OEToolkits	1.9.2	c1cc(cc(c1)O)c2nnc(o2)c3cc(c(c(c3)Cl)O)Cl

222926

건을2024-07-24부터공개중

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