['CC(C)c1cc(C=O)c2ccccc2n1', 'O=[N+]([O-])c1ccccc1S(=O)(=O)N1CCNCC1', 'O=[N+]([O-])c1ccccc1[SH](=O)=O', 'CC(C)c1cc(C(=O)N2CCNCC2)c2ccccc2n1', 'CC(C)c1ccc2ccccc2n1', 'O=CN1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1', 'CCC', 'O=C(c1ccnc2ccccc12)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1']
The molecule <smiles>CC(C)c1cc(C(=O)N2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)c2ccccc2n1</smiles> has a molecular weight of <MW> 444.3430000000003</MW>, a tPSA of <tPSA> 113.72000000000001</tPSA>, a CLogP of <CLogP> 3.4131000000000027</CLogP>, and contains <HBA> 6</HBA> hydrogen bond acceptors (HBA), <HBD> 0</HBD> hydrogen bond donors (HBD), and <rotateable bonds> 5</rotateable bonds> rotatable bonds.