Chemical Components in the PDB

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OFL : Summary

Code

OFL

One-letter code

X

Molecule name

O-TRIFLUOROMETHYLPHENYL ANTHRANILIC ACID

Systematic names

ProgramVersionName
ACDLabs 10.04 2-{[2-(trifluoromethyl)phenyl]amino}benzoic acid
OpenEye OEToolkits 1.5.0 2-[[2-(trifluoromethyl)phenyl]amino]benzoic acid

Formula

C14 H10 F3 N O2

Formal charge

0

Molecular weight

281.23 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 FC(F)(F)c2ccccc2Nc1c(C(=O)O)cccc1
SMILES CACTVS 3.341 OC(=O)c1ccccc1Nc2ccccc2C(F)(F)F
SMILES OpenEye OEToolkits 1.5.0 c1ccc(c(c1)C(=O)O)Nc2ccccc2C(F)(F)F
Canonical SMILES CACTVS 3.341 OC(=O)c1ccccc1Nc2ccccc2C(F)(F)F
Canonical SMILES OpenEye OEToolkits 1.5.0 c1ccc(c(c1)C(=O)O)Nc2ccccc2C(F)(F)F

IUPAC InChI

InChI=1S/C14H10F3NO2/c15-14(16,17)10-6-2-4-8-12(10)18-11-7-3-1-5-9(11)13(19)20/h1-8,18H,(H,19,20)

IUPAC InChI key

ONKHJNFXJDEMNQ-UHFFFAOYSA-N
OFL

wwPDB Information

Atom count

30 (20 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2000-01-28

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned