Chemical Components in the PDB

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AF : Summary

Code

AF

One-letter code

X

Molecule name

2-AMINOFLUORENE

Systematic names

ProgramVersionName
ACDLabs 10.04 9H-fluoren-2-amine
OpenEye OEToolkits 1.5.0 9H-fluoren-2-amine

Formula

C13 H11 N

Formal charge

0

Molecular weight

181.233 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 c1cccc3c1c2c(cc(N)cc2)C3
SMILES CACTVS 3.341 Nc1ccc2c(Cc3ccccc23)c1
SMILES OpenEye OEToolkits 1.5.0 c1ccc-2c(c1)Cc3c2ccc(c3)N
Canonical SMILES CACTVS 3.341 Nc1ccc2c(Cc3ccccc23)c1
Canonical SMILES OpenEye OEToolkits 1.5.0 c1ccc-2c(c1)Cc3c2ccc(c3)N

IUPAC InChI

InChI=1S/C13H11N/c14-11-5-6-13-10(8-11)7-9-3-1-2-4-12(9)13/h1-6,8H,7,14H2

IUPAC InChI key

CFRFHWQYWJMEJN-UHFFFAOYSA-N
AF

wwPDB Information

Atom count

25 (14 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

1999-07-08

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned