| Formula | H3P |
| MW | 34 |
| InChIKey | XYFCBTPGUUZFHI-UHFFFAOYNA-N |
| Entry_Date | 2023-09-01 |
| Net_Charge | 0 |
| Number_Atoms | 4 |
| Number_Heavy_Atoms | 1 |
| Number_Rings | 0 |
| Number_Bonds | 3 |
| 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 | 0.0581 |
| PSA | 13.59 |
| MR | 11.105 |
| ABS | 0.55 |
| Solubility | very |
| Aggregator | Pass |
| PM7_Heat_of_Formation_kcal_per_mol | 5.56969 |
| PM7_Total_Energy_ev | -215.56412 |
| PM7_Electronic_Energy_ev | -330.15337 |
| PM7_Dipole_Debye | 2.24113 |
| PM7_Point_Group | C3v |
| PM7_HOMO_Energy_ev | -11.752 |
| PM7_LUMO_Energy_ev | 1.012 |
| PM7_COSMO_Area_square_ang | 62.01 |
| PM7_COSMO_Volue_cubic_ang | 44.36 |
| PM7_Electron_Affinity_ev | -1.012 |
| PM7_Ionization_Energy_ev | 11.752 |
| PM7_Energy_Gap_ev | 12.764 |
| PM7_Global_Hardness_ev | 6.382 |
| PM7_Global_Softness_ev | 0.15669069257286117 |
| PM7_Chemical_Potential_ev | -5.37 |
| PM7_Electronigativity_ev | 5.37 |
| PM7_Back_Donation_Energy_ev | -1.5955 |
| PM7_Electrophilicity_ev | 2.25923691632717 |
| OPENEYE_Name | phosphane |
| SMILES | P |
| Canonical_SMILES | P |
| InChI | 1/H3P/h1H3 |
| InChI_3D | 1S/H3P/h1H3 |
| AuxInfo | 1/0/N:1/rA:4nPHHH/rB:s1;s1;s1;/rC:;.5,0,0;-.25,-.433,0;-.25,.433,0; |
| Duplicates | DB14151;DB14551 |
| mol2_Path | /CCDB/DrugBank/Database/Compound-0000000000-0000049999/Compound-0000014000-0000014249/DB14151.mol2 |
| pdbqt_Path | /CCDB/DrugBank/Database/Compound-0000000000-0000049999/Compound-0000014000-0000014249/DB14151.pdbqt |
| sdf_Path | /CCDB/DrugBank/Database/Compound-0000000000-0000049999/Compound-0000014000-0000014249/DB14151.sdf |