Chemical Components in the PDB

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PHN : Summary

Code

PHN

One-letter code

X

Molecule name

1,10-PHENANTHROLINE

Systematic names

ProgramVersionName
ACDLabs 10.04 1,10-phenanthroline
OpenEye OEToolkits 1.5.0 1,10-phenanthroline

Formula

C12 H8 N2

Formal charge

0

Molecular weight

180.205 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 n1c3c(ccc1)ccc2cccnc23
SMILES CACTVS 3.341 c1cnc2c(c1)ccc3cccnc23
SMILES OpenEye OEToolkits 1.5.0 c1cc2ccc3cccnc3c2nc1
Canonical SMILES CACTVS 3.341 c1cnc2c(c1)ccc3cccnc23
Canonical SMILES OpenEye OEToolkits 1.5.0 c1cc2ccc3cccnc3c2nc1

IUPAC InChI

InChI=1S/C12H8N2/c1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1/h1-8H

IUPAC InChI key

DGEZNRSVGBDHLK-UHFFFAOYSA-N
PHN

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

1999-07-08

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned