Molecule ID: 446965

IUPAC Name: 3-[(9-cyano-10-methylacridine-9-carbonyl)amino]propanoic acid

Description: The molecule is an N-methylated dihydro acridine carrying carbonitrile and N-carboxyethylcarbamoyl substituents at C-9. It has a role as a hapten.

SMILES: CN1c2ccccc2C(C#N)(C(O)=NCCC(=O)O)c2ccccc21

SELFIES: [C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][Ring1][C][#N][Branch1][=N][C][Branch1][C][O][=N][C][C][C][=Branch1][C][=O][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][Branch2]

InChI: InChI=1S/C19H17N3O3/c1-22-15-8-4-2-6-13(15)19(12-20,14-7-3-5-9-16(14)22)18(25)21-11-10-17(23)24/h2-9H,10-11H2,1H3,(H,21,25)(H,23,24)

Molecular Properties:
- Polar Surface Area: 93.4 Ų
- LogP: 1.9