Molecule ID: 214356

IUPAC Name: [2-(2,4-difluorophenyl)-1,3-bis(1,2,4-triazol-1-yl)propan-2-yl] dihydrogen phosphate

Description: The molecule is a member of triazoles, a triazole antifungal drug and a conazole antifungal drug. It has a role as a prodrug. It derives from a fluconazole.

SMILES: O=P(O)(O)OC(Cn1cncn1)(Cn1cncn1)c1ccc(F)cc1F

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

InChI: InChI=1S/C13H13F2N6O4P/c14-10-1-2-11(12(15)3-10)13(25-26(22,23)24,4-20-8-16-6-18-20)5-21-9-17-7-19-21/h1-3,6-9H,4-5H2,(H2,22,23,24)

Molecular Properties:
- Polar Surface Area: 128.0 Ų
- LogP: -0.6