Chemical Components in the PDB

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TN1 : Summary

Code

TN1

One-letter code

X

Molecule name

5,6,7,8-TETRAHYDRONAPHTHALEN-1-OL

Systematic names

ProgramVersionName
ACDLabs 10.04 5,6,7,8-tetrahydronaphthalen-1-ol
OpenEye OEToolkits 1.5.0 5,6,7,8-tetrahydronaphthalen-1-ol

Formula

C10 H12 O

Formal charge

0

Molecular weight

148.202 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 Oc1cccc2c1CCCC2
SMILES CACTVS 3.341 Oc1cccc2CCCCc12
SMILES OpenEye OEToolkits 1.5.0 c1cc2c(c(c1)O)CCCC2
Canonical SMILES CACTVS 3.341 Oc1cccc2CCCCc12
Canonical SMILES OpenEye OEToolkits 1.5.0 c1cc2c(c(c1)O)CCCC2

IUPAC InChI

InChI=1S/C10H12O/c11-10-7-3-5-8-4-1-2-6-9(8)10/h3,5,7,11H,1-2,4,6H2

IUPAC InChI key

SCWNNOCLLOHZIG-UHFFFAOYSA-N
TN1

wwPDB Information

Atom count

23 (11 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2005-03-04

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned