| Formula | H4P |
| MW | 35.01 |
| InChIKey | XYFCBTPGUUZFHI-OHPKSIGZNA-O |
| Entry_Date | 2023-11-01 |
| Net_Charge | 1 |
| Number_Atoms | 5 |
| Number_Heavy_Atoms | 1 |
| Number_Rings | 0 |
| Number_Bonds | 4 |
| Rotat_Bonds | 0 |
| Unbranched_Chain | 1 |
| Chiral_Centers | 0 |
| ONatoms | 0 |
| HB_Donor | 0 |
| HB_Acceptor | 0 |
| OpenEye_HB_Donors | 0 |
| OpenEye_HB_Acceptors | 0 |
| Lipinski_HB_Donors | 0 |
| Lipinski_HB_Acceptors | 0 |
| Lipinski_Violations | 0 |
| XLogP3 | 0 |
| XLogP | 0.4 |
| logP | -0.2096 |
| PSA | 13.59 |
| MR | 12.5 |
| ABS | 0.55 |
| Solubility | very |
| Aggregator | Pass |
| PM7_Heat_of_Formation_kcal_per_mol | 162.51366 |
| PM7_Total_Energy_ev | -222.08757 |
| PM7_Electronic_Energy_ev | -384.54867 |
| PM7_Dipole_Debye | 0.00164 |
| PM7_Point_Group | Td |
| PM7_HOMO_Energy_ev | -21.32 |
| PM7_LUMO_Energy_ev | -2.585 |
| PM7_COSMO_Area_square_ang | 63.94 |
| PM7_COSMO_Volue_cubic_ang | 45.88 |
| PM7_Electron_Affinity_ev | 2.585 |
| PM7_Ionization_Energy_ev | 21.32 |
| PM7_Energy_Gap_ev | 18.735 |
| PM7_Global_Hardness_ev | 9.3675 |
| PM7_Global_Softness_ev | 0.10675206832132372 |
| PM7_Chemical_Potential_ev | -11.9525 |
| PM7_Electronigativity_ev | 11.9525 |
| PM7_Back_Donation_Energy_ev | -2.341875 |
| PM7_Electrophilicity_ev | 7.625420669869229 |
| OPENEYE_Name | phosphonium |
| SMILES | [PH4+] |
| Canonical_SMILES | P |
| InChI | 1/H3P/h1H3/p+1/fH4P/h1H/q+1 |
| InChI_3D | 1S/H5P/h1H5 |
| AuxInfo | 1/1/N:1/F:m/rA:5nP+HHHH/rB:s1;s1;s1;s1;/rC:;.5,0,0;0,-.5,0;0,.5,0;-.5,0,0; |
| Duplicates | ChEBI30282_p0;ChEBI30283_s0_p0 |
| mol2_Path | /CCDB/ChEBI/Database/Compound-0000000000-0000049999/Compound-0000030250-0000030499/ChEBI30282_p0.mol2 |
| pdbqt_Path | /CCDB/ChEBI/Database/Compound-0000000000-0000049999/Compound-0000030250-0000030499/ChEBI30282_p0.pdbqt |
| sdf_Path | /CCDB/ChEBI/Database/Compound-0000000000-0000049999/Compound-0000030250-0000030499/ChEBI30282_p0.sdf |