Chemical Components in the PDB

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JLZ : Summary

Code

JLZ

One-letter code

X

Molecule name

3-fluoro-4-methylbenzenecarboximidamide

Systematic names

ProgramVersionName
ACDLabs 12.01 3-fluoro-4-methylbenzenecarboximidamide
OpenEye OEToolkits 1.7.0 3-fluoro-4-methyl-benzenecarboximidamide

Formula

C8 H9 F N2

Formal charge

0

Molecular weight

152.169 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 Fc1cc(C(=[N@H])N)ccc1C
SMILES CACTVS 3.370 Cc1ccc(cc1F)C(N)=N
SMILES OpenEye OEToolkits 1.7.0 Cc1ccc(cc1F)C(=N)N
Canonical SMILES CACTVS 3.370 Cc1ccc(cc1F)C(N)=N
Canonical SMILES OpenEye OEToolkits 1.7.0 [H]/N=C(/c1ccc(c(c1)F)C)\N

IUPAC InChI

InChI=1S/C8H9FN2/c1-5-2-3-6(8(10)11)4-7(5)9/h2-4H,1H3,(H3,10,11)

IUPAC InChI key

PWQHQNWOXBOOTJ-UHFFFAOYSA-N
JLZ

wwPDB Information

Atom count

20 (11 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2010-06-25

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned