The Biofilms Structural Database

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HHQ

Code

HLH

Name

2-heptyl-1~{H}-quinolin-4-one

Molecular Weight

243.34

Isomeric SMILES

CCCCCCCc1cc(=O)c2ccccc2[nH]1

Formula

C16H21NO

Identifiers

2-heptyl-1~{H}-quinolin-4-one

Formal Charge

0

InChI

InChI=1S/C16H21NO/c1-2-3-4-5-6-9-13-12-16(18)14-10-7-8-11-15(14)17-13/h7-8,10-12H,2-6,9H2,1H3,(H,17,18)

Atom Count

39

InChIKey

UYRHHBXYXSYGHA-UHFFFAOYSA-N

PDB codes

6Q7U

Type

NON-POLYMER

Chiral Atom Count

0

Chiral Atoms

n/a

Bond Count

40

Aromatic Bond Count

6

Leaving Atoms

n/a