Chemical Components in the PDB

pdbe.org/chem
wwPDB
EMDataBank
spacer

RL6 : Summary

Code

RL6

One-letter code

X

Molecule name

1-[3,4-bis(chloranyl)-5-methyl-indol-1-yl]ethanone

Systematic names

ProgramVersionName
OpenEye OEToolkits 3.1.0.0 1-[3,4-bis(chloranyl)-5-methyl-indol-1-yl]ethanone

Formula

C11 H9 Cl2 N O

Formal charge

0

Molecular weight

242.101 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 CC(=O)n1cc(Cl)c2c(Cl)c(C)ccc12
SMILES OpenEye OEToolkits 3.1.0.0 Cc1ccc2c(c1Cl)c(cn2C(=O)C)Cl
Canonical SMILES CACTVS 3.385 CC(=O)n1cc(Cl)c2c(Cl)c(C)ccc12
Canonical SMILES OpenEye OEToolkits 3.1.0.0 Cc1ccc2c(c1Cl)c(cn2C(=O)C)Cl

IUPAC InChI

InChI=1S/C11H9Cl2NO/c1-6-3-4-9-10(11(6)13)8(12)5-14(9)7(2)15/h3-5H,1-2H3

IUPAC InChI key

IETDZXPYBWJKDH-UHFFFAOYSA-N
RL6

wwPDB Information

Atom count

24 (15 without Hydrogen)

Polymer type

Bound ligand

Type description

non-polymer

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2022-12-01

Last modified at

2022-12-09

Status

Released

Obsoleted

Not Assigned