| Formula | FO3P |
| MW | 97.97 |
| InChIKey | DWYMPOCYEZONEA-KEQXJWLINA-L |
| Entry_Date | 2023-09-01 |
| Net_Charge | -2 |
| Number_Atoms | 7 |
| Number_Heavy_Atoms | 5 |
| Number_Rings | 0 |
| Number_Bonds | 6 |
| Rotat_Bonds | 2 |
| Unbranched_Chain | 1 |
| Chiral_Centers | 0 |
| ONatoms | 3 |
| HB_Donor | 2 |
| HB_Acceptor | 3 |
| OpenEye_HB_Donors | 0 |
| OpenEye_HB_Acceptors | 3 |
| Lipinski_HB_Donors | 0 |
| Lipinski_HB_Acceptors | 3 |
| Lipinski_Violations | 0 |
| XLogP3 | 0 |
| XLogP | -1.7 |
| logP | 0.0486 |
| PSA | 67.34 |
| MR | 13.1521 |
| ABS | 0.85 |
| Solubility | soluble |
| Aggregator | Pass |
| PM7_Heat_of_Formation_kcal_per_mol | -234.7303 |
| PM7_Total_Energy_ev | -1530.05067 |
| PM7_Electronic_Energy_ev | -3408.82673 |
| PM7_Dipole_Debye | 1.13721 |
| PM7_Point_Group | C3v |
| PM7_HOMO_Energy_ev | 0.717 |
| PM7_LUMO_Energy_ev | 10.765 |
| PM7_COSMO_Area_square_ang | 95.58 |
| PM7_COSMO_Volue_cubic_ang | 78.1 |
| PM7_Electron_Affinity_ev | -10.765 |
| PM7_Ionization_Energy_ev | -0.717 |
| PM7_Energy_Gap_ev | 10.048 |
| PM7_Global_Hardness_ev | 5.024 |
| PM7_Global_Softness_ev | 0.19904458598726116 |
| PM7_Chemical_Potential_ev | 5.741 |
| PM7_Electronigativity_ev | -5.741 |
| PM7_Back_Donation_Energy_ev | -1.256 |
| PM7_Electrophilicity_ev | 3.2801633160828025 |
| OPENEYE_Name | fluoro-dioxido-oxo-$l^{5}-phosphane |
| SMILES | [O-]P(=O)([O-])F |
| Canonical_SMILES | OP(=O)(F)O |
| InChI | 1/FH2O3P/c1-5(2,3)4/h(H2,2,3,4)/p-2/fFO3P/q-2 |
| InChI_3D | 1S/FH2O3P/c1-5(2,3)4/h(H2,2,3,4) |
| AuxInfo | 1/1/N:4,1,2,3,5/E:(2,3,4)/F:m/E:m/rA:5nO-O-OFP/rB:;;;s1s2d3s4;/rC:;1,1,0;1,-1,0;2,0,0;1,0,0; |
| Duplicates | DB02348;DB09484_m1 |
| mol2_Path | /CCDB/DrugBank/Database/Compound-0000000000-0000049999/Compound-0000002250-0000002499/DB02348.mol2 |
| pdbqt_Path | /CCDB/DrugBank/Database/Compound-0000000000-0000049999/Compound-0000002250-0000002499/DB02348.pdbqt |
| sdf_Path | /CCDB/DrugBank/Database/Compound-0000000000-0000049999/Compound-0000002250-0000002499/DB02348.sdf |