Chemical Components in the PDB

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BZQ : Summary

Code

BZQ

One-letter code

X

Molecule name

DIPHENYLMETHANONE

Synonyms

BENZENE, BENZOYL-
BENZOPHENONE (8CI)
BENZOYLBENZENE
DIPHENYL KETONE
KETONE, DIPHENYL
METHANONE, DIPHENYL- (9CI)
PHENYL KETONE
WLN: RVR

Systematic names

ProgramVersionName
ACDLabs 10.04 diphenylmethanone
OpenEye OEToolkits 1.5.0 diphenylmethanone

Formula

C13 H10 O

Formal charge

0

Molecular weight

182.218 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 O=C(c1ccccc1)c2ccccc2
SMILES CACTVS 3.341 O=C(c1ccccc1)c2ccccc2
SMILES OpenEye OEToolkits 1.5.0 c1ccc(cc1)C(=O)c2ccccc2
Canonical SMILES CACTVS 3.341 O=C(c1ccccc1)c2ccccc2
Canonical SMILES OpenEye OEToolkits 1.5.0 c1ccc(cc1)C(=O)c2ccccc2

IUPAC InChI

InChI=1S/C13H10O/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H

IUPAC InChI key

RWCCWEUUXYIKHB-UHFFFAOYSA-N
BZQ

wwPDB Information

Atom count

24 (14 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2000-03-08

Last modified at

2020-06-17

Status

Released

Obsoleted

Not Assigned