Chemical Components in the PDB

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GHQ : Summary

Code

GHQ

One-letter code

X

Molecule name

~{N}-[3,3,3-tris(fluoranyl)propyl]benzamide

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.6 ~{N}-[3,3,3-tris(fluoranyl)propyl]benzamide

Formula

C10 H10 F3 N O

Formal charge

0

Molecular weight

217.188 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 FC(F)(F)CCNC(=O)c1ccccc1
SMILES OpenEye OEToolkits 2.0.6 c1ccc(cc1)C(=O)NCCC(F)(F)F
Canonical SMILES CACTVS 3.385 FC(F)(F)CCNC(=O)c1ccccc1
Canonical SMILES OpenEye OEToolkits 2.0.6 c1ccc(cc1)C(=O)NCCC(F)(F)F

IUPAC InChI

InChI=1S/C10H10F3NO/c11-10(12,13)6-7-14-9(15)8-4-2-1-3-5-8/h1-5H,6-7H2,(H,14,15)

IUPAC InChI key

HGTGCLBXLPLRNB-UHFFFAOYSA-N
GHQ

wwPDB Information

Atom count

25 (15 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2018-09-17

Last modified at

2018-12-21

Status

Released

Obsoleted

Not Assigned