Molecule ID: 25164038

IUPAC Name: 6-(bromomethyl)-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),5,8-tetraen-4-one

Description: The molecule is an organobromine compound. It has a role as a fluorochrome. It derives from a hydride of a coumarin 480.

SMILES: O=c1cc(CBr)c2cc3c4c(c2o1)CCCN4CCC3

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

InChI: InChI=1S/C16H16BrNO2/c17-9-11-8-14(19)20-16-12-4-2-6-18-5-1-3-10(15(12)18)7-13(11)16/h7-8H,1-6,9H2

Molecular Properties:
- Polar Surface Area: 29.5 Ų
- LogP: 2.9