Chemical Components in the PDB

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HLV : Summary

Code

HLV

One-letter code

X

Molecule name

2-[(dibenzo[b,d]furan-2-yl)oxy]ethan-1-amine

Systematic names

ProgramVersionName
ACDLabs 12.01 2-[(dibenzo[b,d]furan-2-yl)oxy]ethan-1-amine
OpenEye OEToolkits 2.0.6 2-dibenzofuran-2-yloxyethanamine

Formula

C14 H13 N O2

Formal charge

0

Molecular weight

227.259 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 c12cc(ccc1oc3c2cccc3)OCCN
SMILES CACTVS 3.385 NCCOc1ccc2oc3ccccc3c2c1
SMILES OpenEye OEToolkits 2.0.6 c1ccc2c(c1)c3cc(ccc3o2)OCCN
Canonical SMILES CACTVS 3.385 NCCOc1ccc2oc3ccccc3c2c1
Canonical SMILES OpenEye OEToolkits 2.0.6 c1ccc2c(c1)c3cc(ccc3o2)OCCN

IUPAC InChI

InChI=1S/C14H13NO2/c15-7-8-16-10-5-6-14-12(9-10)11-3-1-2-4-13(11)17-14/h1-6,9H,7-8,15H2

IUPAC InChI key

LFVBNMSDBXKNRO-UHFFFAOYSA-N
HLV

wwPDB Information

Atom count

30 (17 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2018-07-12

Last modified at

2019-04-05

Status

Released

Obsoleted

Not Assigned