Chemical Components in the PDB

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4NL : Summary

Code

4NL

One-letter code

X

Molecule name

4-AMINOPHENOL

Systematic names

ProgramVersionName
ACDLabs 10.04 4-aminophenol
OpenEye OEToolkits 1.5.0 4-aminophenol

Formula

C6 H7 N O

Formal charge

0

Molecular weight

109.126 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 Oc1ccc(N)cc1
SMILES CACTVS 3.341 Nc1ccc(O)cc1
SMILES OpenEye OEToolkits 1.5.0 c1cc(ccc1N)O
Canonical SMILES CACTVS 3.341 Nc1ccc(O)cc1
Canonical SMILES OpenEye OEToolkits 1.5.0 c1cc(ccc1N)O

IUPAC InChI

InChI=1S/C6H7NO/c7-5-1-3-6(8)4-2-5/h1-4,8H,7H2

IUPAC InChI key

PLIKAWJENQZMHA-UHFFFAOYSA-N
4NL

wwPDB Information

Atom count

15 (8 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2007-02-05

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned