name             modified_pdb_for_obabel.pdb 1
formula          C8H11NO2
mol_weight       153.178
exact_mass       153.079
canonical_SMILES NCCc1ccc(c(c1)O)O	

InChI            InChI=1S/C8H11NO2/c9-4-3-6-1-2-7(10)8(11)5-6/h1-2,5,10-11H,3-4,9H2

num_atoms        22
num_bonds        22
num_residues     1
sequence         LIG
num_rings        1
logP             1.2993
PSA              66.48
MR               42.9684
$$$$