| Formula | O2P |
| MW | 62.97 |
| InChIKey | GQZXNSPRSGFJLY-XUXUDNNJNA-M |
| Entry_Date | 2023-09-01 |
| Net_Charge | -1 |
| Number_Atoms | 6 |
| Number_Heavy_Atoms | 3 |
| Number_Rings | 0 |
| Number_Bonds | 5 |
| Rotat_Bonds | 1 |
| Unbranched_Chain | 3 |
| Chiral_Centers | 0 |
| ONatoms | 2 |
| HB_Donor | 1 |
| HB_Acceptor | 2 |
| OpenEye_HB_Donors | 0 |
| OpenEye_HB_Acceptors | 2 |
| Lipinski_HB_Donors | 0 |
| Lipinski_HB_Acceptors | 2 |
| Lipinski_Violations | 0 |
| XLogP3 | 0 |
| XLogP | -0.75 |
| logP | -0.35 |
| PSA | 47.11 |
| MR | 12.6153 |
| ABS | 0.85 |
| Solubility | highly |
| Aggregator | Pass |
| PM7_Heat_of_Formation_kcal_per_mol | -136.38141 |
| PM7_Total_Energy_ev | -768.75912 |
| PM7_Electronic_Energy_ev | -1272.15393 |
| PM7_Dipole_Debye | 1.1092 |
| PM7_Point_Group | Cs |
| PM7_HOMO_Energy_ev | -4.865 |
| PM7_LUMO_Energy_ev | 2.609 |
| PM7_COSMO_Area_square_ang | 76.23 |
| PM7_COSMO_Volue_cubic_ang | 58.46 |
| PM7_Electron_Affinity_ev | -2.609 |
| PM7_Ionization_Energy_ev | 4.865 |
| PM7_Energy_Gap_ev | 7.474 |
| PM7_Global_Hardness_ev | 3.737 |
| PM7_Global_Softness_ev | 0.2675943270002676 |
| PM7_Chemical_Potential_ev | -1.128 |
| PM7_Electronigativity_ev | 1.128 |
| PM7_Back_Donation_Energy_ev | -0.93425 |
| PM7_Electrophilicity_ev | 0.17024137008295423 |
| OPENEYE_Name | BLAH |
| SMILES | [O-]P=O |
| Canonical_SMILES | OP=O |
| InChI | 1/HO2P/c1-3-2/h(H,1,2)/p-1/fO2P/q-1 |
| InChI_3D | 1S/H3O2P/c1-3-2/h3H2,(H,1,2) |
| AuxInfo | 1/1/N:1,2,3/E:(1,2)/F:m/E:m/rA:3nO-OP/rB:;s1d2;/rC:;1.5,.866,0;1,0,0; |
| Duplicates | DB04053 |
| mol2_Path | /CCDB/DrugBank/Database/Compound-0000000000-0000049999/Compound-0000004000-0000004249/DB04053.mol2 |
| pdbqt_Path | /CCDB/DrugBank/Database/Compound-0000000000-0000049999/Compound-0000004000-0000004249/DB04053.pdbqt |
| sdf_Path | /CCDB/DrugBank/Database/Compound-0000000000-0000049999/Compound-0000004000-0000004249/DB04053.sdf |