Chemical Components in the PDB

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SW7 : Summary

Code

SW7

One-letter code

X

Molecule name

4-methylbenzamide

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.6 4-methylbenzamide

Formula

C8 H9 N O

Formal charge

0

Molecular weight

135.163 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 Cc1ccc(cc1)C(N)=O
SMILES OpenEye OEToolkits 2.0.6 Cc1ccc(cc1)C(=O)N
Canonical SMILES CACTVS 3.385 Cc1ccc(cc1)C(N)=O
Canonical SMILES OpenEye OEToolkits 2.0.6 Cc1ccc(cc1)C(=O)N

IUPAC InChI

InChI=1S/C8H9NO/c1-6-2-4-7(5-3-6)8(9)10/h2-5H,1H3,(H2,9,10)

IUPAC InChI key

UHBGYFCCKRAEHA-UHFFFAOYSA-N
SW7

wwPDB Information

Atom count

19 (10 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2020-03-11

Last modified at

2020-07-17

Status

Released

Obsoleted

Not Assigned