Chemical Components in the PDB

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VW8 : Summary

Code

VW8

One-letter code

X

Molecule name

(1E)-N-hydroxy(phenoxy)ethanimidamide

Systematic names

ProgramVersionName
ACDLabs 12.01 (1E)-N-hydroxy(phenoxy)ethanimidamide
OpenEye OEToolkits 2.0.7 ~{N}-oxidanyl-2-phenoxy-ethanimidamide

Formula

C8 H10 N2 O2

Formal charge

0

Molecular weight

166.177 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 N=C(COc1ccccc1)NO
SMILES CACTVS 3.385 ONC(=N)COc1ccccc1
SMILES OpenEye OEToolkits 2.0.7 c1ccc(cc1)OCC(=N)NO
Canonical SMILES CACTVS 3.385 ONC(=N)COc1ccccc1
Canonical SMILES OpenEye OEToolkits 2.0.7 [H]/N=C(\COc1ccccc1)/NO

IUPAC InChI

InChI=1S/C8H10N2O2/c9-8(10-11)6-12-7-4-2-1-3-5-7/h1-5,11H,6H2,(H2,9,10)

IUPAC InChI key

BIIYCNCZOGOUJP-UHFFFAOYSA-N
VW8

wwPDB Information

Atom count

22 (12 without Hydrogen)

Polymer type

Bound ligand

Type description

non-polymer

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2022-09-02

Last modified at

2022-10-28

Status

Released

Obsoleted

Not Assigned