| Formula | H3O2P |
| MW | 66 |
| InChIKey | ACVYVLVWPXVTIT-OKIMJQNENA-N |
| Entry_Date | 2023-11-01 |
| Net_Charge | 0 |
| 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 | 1 |
| OpenEye_HB_Acceptors | 1 |
| Lipinski_HB_Donors | 1 |
| Lipinski_HB_Acceptors | 2 |
| Lipinski_Violations | 0 |
| XLogP3 | 0 |
| XLogP | -0.09 |
| logP | -0.35 |
| PSA | 47.11 |
| MR | 12.6153 |
| ABS | 0.55 |
| Solubility | highly |
| Aggregator | Pass |
| PM7_Heat_of_Formation_kcal_per_mol | -123.49842 |
| PM7_Total_Energy_ev | -808.18718 |
| PM7_Electronic_Energy_ev | -1633.0081 |
| PM7_Dipole_Debye | 3.14433 |
| PM7_Point_Group | C1 |
| PM7_HOMO_Energy_ev | -10.523 |
| PM7_LUMO_Energy_ev | -0.359 |
| PM7_COSMO_Area_square_ang | 83.09 |
| PM7_COSMO_Volue_cubic_ang | 64.49 |
| PM7_Electron_Affinity_ev | 0.359 |
| PM7_Ionization_Energy_ev | 10.523 |
| PM7_Energy_Gap_ev | 10.164 |
| PM7_Global_Hardness_ev | 5.082 |
| PM7_Global_Softness_ev | 0.19677292404565133 |
| PM7_Chemical_Potential_ev | -5.441 |
| PM7_Electronigativity_ev | 5.441 |
| PM7_Back_Donation_Energy_ev | -1.2705 |
| PM7_Electrophilicity_ev | 2.9126801456119638 |
| OPENEYE_Name | phosphinic acid |
| SMILES | O=[PH2]O |
| Canonical_SMILES | OP=O |
| InChI | 1/H3O2P/c1-3-2/h3H2,(H,1,2)/f/h1H |
| InChI_3D | 1S/H3O2P/c1-3-2/h3H2,(H,1,2) |
| AuxInfo | 1/1/N:1,2,3/E:(1,2)/F:2,1,3/CRV:3.5/rA:6nOOPHHH/rB:;d1s2;s2;s3;s3;/rC:;2,0,0;1,0,0;2.25,.433,0;1,-.5,0;1,.5,0; |
| Duplicates | ChEBI29031;ChEBI29926 |
| mol2_Path | /CCDB/ChEBI/Database/Compound-0000000000-0000049999/Compound-0000029000-0000029249/ChEBI29031.mol2 |
| pdbqt_Path | /CCDB/ChEBI/Database/Compound-0000000000-0000049999/Compound-0000029000-0000029249/ChEBI29031.pdbqt |
| sdf_Path | /CCDB/ChEBI/Database/Compound-0000000000-0000049999/Compound-0000029000-0000029249/ChEBI29031.sdf |