Chemical Components in the PDB

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7N7 : Summary

Code

7N7

One-letter code

X

Molecule name

naphthalen-2-ylboronic acid

Systematic names

ProgramVersionName
ACDLabs 12.01 naphthalen-2-ylboronic acid
OpenEye OEToolkits 2.0.6 naphthalen-2-ylboronic acid

Formula

C10 H9 B O2

Formal charge

0

Molecular weight

171.988 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 c1c2c(cc(B(O)O)c1)cccc2
SMILES CACTVS 3.385 OB(O)c1ccc2ccccc2c1
SMILES OpenEye OEToolkits 2.0.6 B(c1ccc2ccccc2c1)(O)O
Canonical SMILES CACTVS 3.385 OB(O)c1ccc2ccccc2c1
Canonical SMILES OpenEye OEToolkits 2.0.6 B(c1ccc2ccccc2c1)(O)O

IUPAC InChI

InChI=1S/C10H9BO2/c12-11(13)10-6-5-8-3-1-2-4-9(8)7-10/h1-7,12-13H

IUPAC InChI key

KPTRDYONBVUWPD-UHFFFAOYSA-N
7N7

wwPDB Information

Atom count

22 (13 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2016-11-21

Last modified at

2017-12-01

Status

Released

Obsoleted

Not Assigned