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EJC : Summary

Code

EJC

One-letter code

X

Molecule name

5-propoxy-1H-indole

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.7 5-propoxy-1~{H}-indole

Formula

C11 H13 N O

Formal charge

0

Molecular weight

175.227 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 CCCOc1ccc2[nH]ccc2c1
SMILES OpenEye OEToolkits 2.0.7 CCCOc1ccc2c(c1)cc[nH]2
Canonical SMILES CACTVS 3.385 CCCOc1ccc2[nH]ccc2c1
Canonical SMILES OpenEye OEToolkits 2.0.7 CCCOc1ccc2c(c1)cc[nH]2

IUPAC InChI

InChI=1S/C11H13NO/c1-2-7-13-10-3-4-11-9(8-10)5-6-12-11/h3-6,8,12H,2,7H2,1H3

IUPAC InChI key

ZDJYYIGOESXISA-UHFFFAOYSA-N
EJC

wwPDB Information

Atom count

26 (13 without Hydrogen)

Polymer type

Bound ligand

Type description

non-polymer

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2020-01-07

Last modified at

2021-01-08

Status

Released

Obsoleted

Not Assigned