Molecule ID: 9817511

IUPAC Name: 3-(2,2-difluoro-10,12-dimethyl-1-aza-3-azonia-2-boranuidatricyclo[7.3.0.03,7]dodeca-3,5,7,9,11-pentaen-4-yl)propanoic acid

Description: The molecule is a BODIPY dye and a monocarboxylic acid. It has a role as a fluorochrome. It derives from a 4,4-difluoro-4-bora-3a,4a-diaza-s-indacene.

SMILES: Cc1cc(C)n2c1C=C1C=CC(CCC(=O)O)=[N+]1[B-]2(F)F

SELFIES: [C][C][C][=C][Branch1][C][C][N][C][=Ring1][=Branch1][C][=C][C][=C][C][Branch1][Branch2][C][C][C][=Branch1][C][=O][O][=N+1][Ring1][#Branch2][B-1][Ring1][=C][Branch1][C][F][F]

InChI: InChI=1S/C14H15BF2N2O2/c1-9-7-10(2)18-13(9)8-12-4-3-11(5-6-14(20)21)19(12)15(18,16)17/h3-4,7-8H,5-6H2,1-2H3,(H,20,21)

Molecular Properties:
- Polar Surface Area: 45.2 Ų
- LogP: nan