The Biofilms Structural Database

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Chlorolactone

3QP5

Code

HLC

Name

4-(4-chlorophenoxy)-N-[(3S)-2-oxotetrahydrofuran-3-yl]butanamide

Molecular Weight

297.73

Isomeric SMILES

Clc1ccc(OCCCC(=O)N[[email protected]]2CCOC2=O)cc1

Formula

C14H16ClNO4

Identifiers

4-(4-chlorophenoxy)-N-[(3S)-2-oxooxolan-3-yl]butanamide

Formal Charge

0

InChI

InChI=1S/C14H16ClNO4/c15-10-3-5-11(6-4-10)19-8-1-2-13(17)16-12-7-9-20-14(12)18/h3-6,12H,1-2,7-9H2,(H,16,17)/t12-/m0/s1

Atom Count

36

InChIKey

BKVYYPQMGSVOHB-LBPRGKRZSA-N

PDB codes

3QP5

Type

Non-polymer

Chiral Atom Count

1

Chiral Atoms

C4

Bond Count

37

Aromatic Bond Count

6

Leaving Atoms

n/a