Chemical Components in the PDB

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N4B : Summary

Code

N4B

One-letter code

X

Molecule name

N-BUTYLBENZENE

Systematic names

ProgramVersionName
ACDLabs 10.04 butylbenzene
OpenEye OEToolkits 1.5.0 butylbenzene

Formula

C10 H14

Formal charge

0

Molecular weight

134.218 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 c1ccccc1CCCC
SMILES CACTVS 3.341 CCCCc1ccccc1
SMILES OpenEye OEToolkits 1.5.0 CCCCc1ccccc1
Canonical SMILES CACTVS 3.341 CCCCc1ccccc1
Canonical SMILES OpenEye OEToolkits 1.5.0 CCCCc1ccccc1

IUPAC InChI

InChI=1S/C10H14/c1-2-3-7-10-8-5-4-6-9-10/h4-6,8-9H,2-3,7H2,1H3

IUPAC InChI key

OCKPCBLVNKHBMX-UHFFFAOYSA-N
N4B

wwPDB Information

Atom count

24 (10 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

1999-07-08

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned