Chemical Components in the PDB

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9FL : Summary

Code

9FL

One-letter code

X

Molecule name

9H-fluorene

Systematic names

ProgramVersionName
ACDLabs 12.01 9H-fluorene
OpenEye OEToolkits 1.7.6 9H-fluorene

Formula

C13 H10

Formal charge

0

Molecular weight

166.218 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 c1cccc3c1c2c(cccc2)C3
SMILES CACTVS 3.385 C1c2ccccc2c3ccccc13
SMILES OpenEye OEToolkits 1.7.6 c1ccc-2c(c1)Cc3c2cccc3
Canonical SMILES CACTVS 3.385 C1c2ccccc2c3ccccc13
Canonical SMILES OpenEye OEToolkits 1.7.6 c1ccc-2c(c1)Cc3c2cccc3

IUPAC InChI

InChI=1S/C13H10/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12/h1-8H,9H2

IUPAC InChI key

NIHNNTQXNPWCJQ-UHFFFAOYSA-N
9FL

wwPDB Information

Atom count

23 (13 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2013-10-31

Last modified at

2014-03-21

Status

Released

Obsoleted

Not Assigned