English 日本語简体中文繁體中文 한국어

✖

Menu

RCSB PDB PDBe BMRB Adv. Search Search help

Summary Geometry Related PDB entries

P5Z

Summary

Name:	6-chloro-4-(2-chlorophenoxy)-2-methylquinoline-3-carboxylic acid
Formula:	C17 H11 Cl2 N O3
Formal charge:	0
Formula weight:	348.18 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	6-chloro-4-(2-chlorophenoxy)-2-methylquinoline-3-carboxylic acid
OpenEye OEToolkits	2.0.7	6-chloranyl-4-(2-chloranylphenoxy)-2-methyl-quinoline-3-carboxylic acid

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	Clc1ccccc1Oc1c2cc(Cl)ccc2nc(C)c1C(=O)O
InChI	InChI	1.06	InChI=1S/C17H11Cl2NO3/c1-9-15(17(21)22)16(23-14-5-3-2-4-12(14)19)11-8-10(18)6-7-13(11)20-9/h2-8H,1H3,(H,21,22)
InChIKey	InChI	1.06	ABPWAZGWFVYLDD-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	Cc1nc2ccc(Cl)cc2c(Oc3ccccc3Cl)c1C(O)=O
SMILES	CACTVS	3.385	Cc1nc2ccc(Cl)cc2c(Oc3ccccc3Cl)c1C(O)=O
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	Cc1c(c(c2cc(ccc2n1)Cl)Oc3ccccc3Cl)C(=O)O
SMILES	OpenEye OEToolkits	2.0.7	Cc1c(c(c2cc(ccc2n1)Cl)Oc3ccccc3Cl)C(=O)O

223532

건을2024-08-07부터공개중

PDB statistics

PDBj update info

Contact PDBj

numon