Chemical Components in the PDB

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KXQ : Summary

Code

KXQ

One-letter code

X

Molecule name

1~{H}-indole-7-carboxylic acid

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.7 1~{H}-indole-7-carboxylic acid

Formula

C9 H7 N O2

Formal charge

0

Molecular weight

161.157 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 OC(=O)c1cccc2cc[nH]c12
SMILES OpenEye OEToolkits 2.0.7 c1cc2cc[nH]c2c(c1)C(=O)O
Canonical SMILES CACTVS 3.385 OC(=O)c1cccc2cc[nH]c12
Canonical SMILES OpenEye OEToolkits 2.0.7 c1cc2cc[nH]c2c(c1)C(=O)O

IUPAC InChI

InChI=1S/C9H7NO2/c11-9(12)7-3-1-2-6-4-5-10-8(6)7/h1-5,10H,(H,11,12)

IUPAC InChI key

IPDOBVFESNNYEE-UHFFFAOYSA-N
KXQ

wwPDB Information

Atom count

19 (12 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2019-07-03

Last modified at

2020-07-10

Status

Released

Obsoleted

Not Assigned