| Formula | H3OP |
| MW | 50 |
| InChIKey | RYIOLWQRQXDECZ-UHFFFAOYNA-N |
| Entry_Date | 2023-11-01 |
| Net_Charge | 0 |
| Number_Atoms | 5 |
| Number_Heavy_Atoms | 2 |
| Number_Rings | 0 |
| Number_Bonds | 4 |
| Rotat_Bonds | 1 |
| Unbranched_Chain | 2 |
| Chiral_Centers | 0 |
| ONatoms | 1 |
| HB_Donor | 1 |
| HB_Acceptor | 1 |
| OpenEye_HB_Donors | 1 |
| OpenEye_HB_Acceptors | 1 |
| Lipinski_HB_Donors | 1 |
| Lipinski_HB_Acceptors | 1 |
| Lipinski_Violations | 0 |
| XLogP3 | 0 |
| XLogP | -0.32 |
| logP | -0.2312 |
| PSA | 33.82 |
| MR | 11.9288 |
| ABS | 0.55 |
| Solubility | very |
| Aggregator | Pass |
| PM7_Heat_of_Formation_kcal_per_mol | -50.05028 |
| PM7_Total_Energy_ev | -511.48928 |
| PM7_Electronic_Energy_ev | -897.04605 |
| PM7_Dipole_Debye | 1.30673 |
| PM7_Point_Group | C1 |
| PM7_HOMO_Energy_ev | -10.346 |
| PM7_LUMO_Energy_ev | -1.804 |
| PM7_COSMO_Area_square_ang | 73.73 |
| PM7_COSMO_Volue_cubic_ang | 55.32 |
| PM7_Electron_Affinity_ev | 1.804 |
| PM7_Ionization_Energy_ev | 10.346 |
| PM7_Energy_Gap_ev | 8.542 |
| PM7_Global_Hardness_ev | 4.271 |
| PM7_Global_Softness_ev | 0.23413720440177943 |
| PM7_Chemical_Potential_ev | -6.075 |
| PM7_Electronigativity_ev | 6.075 |
| PM7_Back_Donation_Energy_ev | -1.06775 |
| PM7_Electrophilicity_ev | 4.320489932100211 |
| OPENEYE_Name | phosphinous acid |
| SMILES | OP |
| Canonical_SMILES | OP |
| InChI | 1/H3OP/c1-2/h1H,2H2 |
| InChI_3D | 1S/H3OP/c1-2/h1H,2H2 |
| AuxInfo | 1/0/N:1,2/rA:5nOPHHH/rB:s1;s1;s2;s2;/rC:;1,0,0;-.25,-.433,0;1.25,.433,0;1.25,-.433,0; |
| Duplicates | ChEBI29260 |
| mol2_Path | /CCDB/ChEBI/Database/Compound-0000000000-0000049999/Compound-0000029250-0000029499/ChEBI29260.mol2 |
| pdbqt_Path | /CCDB/ChEBI/Database/Compound-0000000000-0000049999/Compound-0000029250-0000029499/ChEBI29260.pdbqt |
| sdf_Path | /CCDB/ChEBI/Database/Compound-0000000000-0000049999/Compound-0000029250-0000029499/ChEBI29260.sdf |