Chemical Components in the PDB

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16N : Summary

Code

16N

One-letter code

X

Molecule name

2,3-dihydro-1H-indene

Synonyms

indan

Systematic names

ProgramVersionName
ACDLabs 12.01 2,3-dihydro-1H-indene
OpenEye OEToolkits 1.7.6 2,3-dihydro-1H-indene

Formula

C9 H10

Formal charge

0

Molecular weight

118.176 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 c1cccc2c1CCC2
SMILES CACTVS 3.370 C1Cc2ccccc2C1
SMILES OpenEye OEToolkits 1.7.6 c1ccc2c(c1)CCC2
Canonical SMILES CACTVS 3.370 C1Cc2ccccc2C1
Canonical SMILES OpenEye OEToolkits 1.7.6 c1ccc2c(c1)CCC2

IUPAC InChI

InChI=1S/C9H10/c1-2-5-9-7-3-6-8(9)4-1/h1-2,4-5H,3,6-7H2

IUPAC InChI key

PQNFLJBBNBOBRQ-UHFFFAOYSA-N
16N

wwPDB Information

Atom count

19 (9 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2012-10-22

Last modified at

2013-10-25

Status

Released

Obsoleted

Not Assigned