Chemical Components in the PDB

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9CA : Summary

Code

9CA

One-letter code

X

Molecule name

9H-CARBAZOLE

Systematic names

ProgramVersionName
ACDLabs 10.04 9H-carbazole
OpenEye OEToolkits 1.5.0 9H-carbazole

Formula

C12 H9 N

Formal charge

0

Molecular weight

167.207 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 c1cccc3c1c2c(cccc2)n3
SMILES CACTVS 3.341 [nH]1c2ccccc2c3ccccc13
SMILES OpenEye OEToolkits 1.5.0 c1ccc2c(c1)c3ccccc3[nH]2
Canonical SMILES CACTVS 3.341 [nH]1c2ccccc2c3ccccc13
Canonical SMILES OpenEye OEToolkits 1.5.0 c1ccc2c(c1)c3ccccc3[nH]2

IUPAC InChI

InChI=1S/C12H9N/c1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11/h1-8,13H

IUPAC InChI key

UJOBWOGCFQCDNV-UHFFFAOYSA-N
9CA

wwPDB Information

Atom count

22 (13 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2006-02-14

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned