Loading
PDBj
MenuPDBj@FacebookPDBj@TwitterPDBj@YouTubewwPDB FoundationwwPDB
RCSB PDBPDBeBMRBAdv. SearchSearch help

TCC

Summary
Name:2-(2,4-DICHLORO-PHENYLAMINO)-PHENOL
Formula:C12 H9 Cl2 N O
Formal charge:0
Formula weight:254.112 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.042-[(2,4-dichlorophenyl)amino]phenol
OpenEye OEToolkits1.5.02-[(2,4-dichlorophenyl)amino]phenol

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04Clc2cc(Cl)ccc2Nc1ccccc1O
SMILES_CANONICALCACTVS3.341Oc1ccccc1Nc2ccc(Cl)cc2Cl
SMILESCACTVS3.341Oc1ccccc1Nc2ccc(Cl)cc2Cl
SMILES_CANONICALOpenEye OEToolkits1.5.0c1ccc(c(c1)Nc2ccc(cc2Cl)Cl)O
SMILESOpenEye OEToolkits1.5.0c1ccc(c(c1)Nc2ccc(cc2Cl)Cl)O
InChIInChI1.03InChI=1S/C12H9Cl2NO/c13-8-5-6-10(9(14)7-8)15-11-3-1-2-4-12(11)16/h1-7,15-16H
InChIKeyInChI1.03PPZLXGFYVBKTGK-UHFFFAOYSA-N

223532

数据于2024-08-07公开中

PDB statisticsPDBj update infoContact PDBjnumon