Molecule ID: 121834

IUPAC Name: 5-(2-acetamidoethylamino)naphthalene-1-sulfonic acid

Description: The molecule is an aminonaphthalenesulfonic acid fluorophore with a structure consisting of ethylenediamine substituted on the nitrogens with acetyl and 5-sulfonyl-1-naphthyl groups. It has a role as a fluorescent probe.

SMILES: CC(O)=NCCNc1cccc2c(S(=O)(=O)O)cccc12

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

InChI: InChI=1S/C14H16N2O4S/c1-10(17)15-8-9-16-13-6-2-5-12-11(13)4-3-7-14(12)21(18,19)20/h2-7,16H,8-9H2,1H3,(H,15,17)(H,18,19,20)

Molecular Properties:
- Polar Surface Area: 104.0 Ų
- LogP: 1.2