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Summary Geometry Related PDB entries

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Summary

Name:	[(1M)-4'-chloro-2'-phenoxy[1,1'-biphenyl]-3-yl]acetic acid
Formula:	C20 H15 Cl O3
Formal charge:	0
Formula weight:	338.784 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	[(1M)-4'-chloro-2'-phenoxy[1,1'-biphenyl]-3-yl]acetic acid
OpenEye OEToolkits	2.0.7	2-[3-(4-chloranyl-2-phenoxy-phenyl)phenyl]ethanoic acid

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	Clc1cc(Oc2ccccc2)c(cc1)c1cc(CC(=O)O)ccc1
InChI	InChI	1.06	InChI=1S/C20H15ClO3/c21-16-9-10-18(15-6-4-5-14(11-15)12-20(22)23)19(13-16)24-17-7-2-1-3-8-17/h1-11,13H,12H2,(H,22,23)
InChIKey	InChI	1.06	LVZMPQWPNLPPJY-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	OC(=O)Cc1cccc(c1)c2ccc(Cl)cc2Oc3ccccc3
SMILES	CACTVS	3.385	OC(=O)Cc1cccc(c1)c2ccc(Cl)cc2Oc3ccccc3
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	c1ccc(cc1)Oc2cc(ccc2c3cccc(c3)CC(=O)O)Cl
SMILES	OpenEye OEToolkits	2.0.7	c1ccc(cc1)Oc2cc(ccc2c3cccc(c3)CC(=O)O)Cl

222415

건을2024-07-10부터공개중

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