Chemical Components in the PDB

pdbe.org/chem
wwPDB
EMDataBank
spacer

14O : Summary

Code

14O

One-letter code

X

Molecule name

5-fluoro-1H-indole

Systematic names

ProgramVersionName
ACDLabs 10.04 5-fluoro-1H-indole
OpenEye OEToolkits 1.5.0 5-fluoro-1H-indole

Formula

C8 H6 F N

Formal charge

0

Molecular weight

135.138 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 Fc1cc2c(cc1)ncc2
SMILES CACTVS 3.341 Fc1ccc2[nH]ccc2c1
SMILES OpenEye OEToolkits 1.5.0 c1cc2c(cc[nH]2)cc1F
Canonical SMILES CACTVS 3.341 Fc1ccc2[nH]ccc2c1
Canonical SMILES OpenEye OEToolkits 1.5.0 c1cc2c(cc[nH]2)cc1F

IUPAC InChI

InChI=1S/C8H6FN/c9-7-1-2-8-6(5-7)3-4-10-8/h1-5,10H

IUPAC InChI key

ODFFPRGJZRXNHZ-UHFFFAOYSA-N
14O

wwPDB Information

Atom count

16 (10 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2009-01-20

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned