Chemical Components in the PDB

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15O : Summary

Code

15O

One-letter code

X

Molecule name

1-chloronaphthalene

Systematic names

ProgramVersionName
ACDLabs 12.01 1-chloronaphthalene
OpenEye OEToolkits 1.7.6 1-chloranylnaphthalene

Formula

C10 H7 Cl

Formal charge

0

Molecular weight

162.616 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 Clc2cccc1ccccc12
SMILES CACTVS 3.370 Clc1cccc2ccccc12
SMILES OpenEye OEToolkits 1.7.6 c1ccc2c(c1)cccc2Cl
Canonical SMILES CACTVS 3.370 Clc1cccc2ccccc12
Canonical SMILES OpenEye OEToolkits 1.7.6 c1ccc2c(c1)cccc2Cl

IUPAC InChI

InChI=1S/C10H7Cl/c11-10-7-3-5-8-4-1-2-6-9(8)10/h1-7H

IUPAC InChI key

JTPNRXUCIXHOKM-UHFFFAOYSA-N
15O

wwPDB Information

Atom count

18 (11 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2012-10-15

Last modified at

2013-10-11

Status

Released

Obsoleted

Not Assigned