Chemical Components in the PDB

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ZNV : Summary

Code

ZNV

One-letter code

X

Molecule name

1-fluoro-2-[(prop-2-en-1-yl)oxy]benzene

Systematic names

ProgramVersionName
ACDLabs 12.01 1-fluoro-2-[(prop-2-en-1-yl)oxy]benzene
OpenEye OEToolkits 2.0.7 1-fluoranyl-2-prop-2-enoxy-benzene

Formula

C9 H9 F O

Formal charge

0

Molecular weight

152.166 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 Fc1ccccc1OCC=C
SMILES CACTVS 3.385 Fc1ccccc1OCC=C
SMILES OpenEye OEToolkits 2.0.7 C=CCOc1ccccc1F
Canonical SMILES CACTVS 3.385 Fc1ccccc1OCC=C
Canonical SMILES OpenEye OEToolkits 2.0.7 C=CCOc1ccccc1F

IUPAC InChI

InChI=1S/C9H9FO/c1-2-7-11-9-6-4-3-5-8(9)10/h2-6H,1,7H2

IUPAC InChI key

MABBMHBZKPIFFV-UHFFFAOYSA-N
ZNV

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

2021-05-12

Last modified at

2021-05-14

Status

Released

Obsoleted

Not Assigned