Chemical Components in the PDB

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ZAW : Summary

Code

ZAW

One-letter code

X

Molecule name

di(pyridin-3-yl)methanone

Systematic names

ProgramVersionName
ACDLabs 12.01 di(pyridin-3-yl)methanone
OpenEye OEToolkits 1.7.6 dipyridin-3-ylmethanone

Formula

C11 H8 N2 O

Formal charge

0

Molecular weight

184.194 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 O=C(c1cccnc1)c2cccnc2
SMILES CACTVS 3.385 O=C(c1cccnc1)c2cccnc2
SMILES OpenEye OEToolkits 1.7.6 c1cc(cnc1)C(=O)c2cccnc2
Canonical SMILES CACTVS 3.385 O=C(c1cccnc1)c2cccnc2
Canonical SMILES OpenEye OEToolkits 1.7.6 c1cc(cnc1)C(=O)c2cccnc2

IUPAC InChI

InChI=1S/C11H8N2O/c14-11(9-3-1-5-12-7-9)10-4-2-6-13-8-10/h1-8H

IUPAC InChI key

AQLPDLOXKZRZEV-UHFFFAOYSA-N
ZAW

wwPDB Information

Atom count

22 (14 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2013-12-06

Last modified at

2013-12-20

Status

Released

Obsoleted

Not Assigned