Molecule ID: 14821427

IUPAC Name: (5-bromo-1H-indol-3-yl) decanoate

Description: The molecule is an decanoate ester obtained by formal condensation of the carboxy group of decanoic acid with the hydroxy group of 5-bromoindoxyl. It has a role as a chromogenic compound. It is a bromoindole and a decanoate ester. It derives from an indoxyl.

SMILES: CCCCCCCCCC(=O)Oc1c[nH]c2ccc(Br)cc12

SELFIES: [C][C][C][C][C][C][C][C][C][C][=Branch1][C][=O][O][C][=C][NH1][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch2][Ring1][#Branch1]

InChI: InChI=1S/C18H24BrNO2/c1-2-3-4-5-6-7-8-9-18(21)22-17-13-20-16-11-10-14(19)12-15(16)17/h10-13,20H,2-9H2,1H3

Molecular Properties:
- Polar Surface Area: 42.1 Ų
- LogP: 6.6