Chemical Components in the PDB

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03V : Summary

Code

03V

One-letter code

X

Molecule name

naphthalen-2-ol

Synonyms

2-Naphtol

Systematic names

ProgramVersionName
ACDLabs 12.01 naphthalen-2-ol
OpenEye OEToolkits 1.7.2 naphthalen-2-ol

Formula

C10 H8 O

Formal charge

0

Molecular weight

144.17 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 Oc2ccc1c(cccc1)c2
SMILES CACTVS 3.370 Oc1ccc2ccccc2c1
SMILES OpenEye OEToolkits 1.7.2 c1ccc2cc(ccc2c1)O
Canonical SMILES CACTVS 3.370 Oc1ccc2ccccc2c1
Canonical SMILES OpenEye OEToolkits 1.7.2 c1ccc2cc(ccc2c1)O

IUPAC InChI

InChI=1S/C10H8O/c11-10-6-5-8-3-1-2-4-9(8)7-10/h1-7,11H

IUPAC InChI key

JWAZRIHNYRIHIV-UHFFFAOYSA-N
03V

wwPDB Information

Atom count

19 (11 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2011-10-10

Last modified at

2020-06-17

Status

Released

Obsoleted

Not Assigned