name             modified_pdb_for_obabel.pdb 1
formula          C18H23ClN2O2
mol_weight       334.84
exact_mass       334.145
canonical_SMILES O=C(Nc1cccc(Cl)c1C)[C@H]1CC(=O)N(C1)C1CCCCC1	

InChI            InChI=1S/C18H23ClN2O2/c1-12-15(19)8-5-9-16(12)20-18(23)13-10-17(22)21(11-13)14-6-3-2-4-7-14/h5,8-9,13-14H,2-4,6-7,10-11H2,1H3,(H,20,23)/t13-/m0/s1

num_atoms        46
num_bonds        48
num_residues     1
sequence         468
num_rings        3
logP             3.779
PSA              49.41
MR               96.7767
$$$$