Chemical Components in the PDB

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1NP : Summary

Code

1NP

One-letter code

X

Molecule name

1-NAPHTHOL

Synonyms

naphthalen-1-ol

Systematic names

ProgramVersionName
ACDLabs 10.04 naphthalen-1-ol
OpenEye OEToolkits 1.5.0 naphthalen-1-ol

Formula

C10 H8 O

Formal charge

0

Molecular weight

144.17 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 Oc2cccc1ccccc12
SMILES CACTVS 3.341 Oc1cccc2ccccc12
SMILES OpenEye OEToolkits 1.5.0 c1ccc2c(c1)cccc2O
Canonical SMILES CACTVS 3.341 Oc1cccc2ccccc12
Canonical SMILES OpenEye OEToolkits 1.5.0 c1ccc2c(c1)cccc2O

IUPAC InChI

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

IUPAC InChI key

KJCVRFUGPWSIIH-UHFFFAOYSA-N
1NP

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

2008-11-21

Last modified at

2021-03-01

Status

Released

Obsoleted

Not Assigned