The Biofilms Structural Database
Name
2-heptyl-1~{H}-quinolin-4-one
Molecular Weight
243.34
Isomeric SMILES
CCCCCCCc1cc(=O)c2ccccc2[nH]1
Formula
C16H21NO
Identifiers
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
Chiral Atoms
n/a
Bond Count
40
Aromatic Bond Count
6
Leaving Atoms