Molecule ID: 562543

IUPAC Name: [2-(benzenesulfinylmethyl)-3-phenylcyclopropyl]benzene

Description: The molecule is a sulfoxide in which the S atom is substituted by a phenyl and (2,3-diphenylcyclopropyl)methyl group. Metabolite observed in cancer metabolism. It has a role as a human metabolite. It is a sulfoxide, a member of cyclopropanes and a member of benzenes.

SMILES: O=S(CC1C(c2ccccc2)C1c1ccccc1)c1ccccc1

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

InChI: InChI=1S/C22H20OS/c23-24(19-14-8-3-9-15-19)16-20-21(17-10-4-1-5-11-17)22(20)18-12-6-2-7-13-18/h1-15,20-22H,16H2

Molecular Properties:
- Polar Surface Area: 36.3 Ų
- LogP: 4.5