| Formula | CH5P |
| MW | 48.02 |
| InChIKey | SAWKFRBJGLMMES-UHFFFAOYNA-N |
| Entry_Date | 2023-11-01 |
| Net_Charge | 0 |
| Number_Atoms | 7 |
| Number_Heavy_Atoms | 2 |
| Number_Rings | 0 |
| Number_Bonds | 6 |
| Rotat_Bonds | 0 |
| Unbranched_Chain | 2 |
| 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 | 0.55 |
| logP | 0.4913 |
| PSA | 13.59 |
| MR | 15.574 |
| ABS | 0.55 |
| Solubility | very |
| Aggregator | Pass |
| PM7_Heat_of_Formation_kcal_per_mol | -4.34297 |
| PM7_Total_Energy_ev | -365.75201 |
| PM7_Electronic_Energy_ev | -814.36027 |
| PM7_Dipole_Debye | 2.7407 |
| PM7_Point_Group | Cs |
| PM7_HOMO_Energy_ev | -10.635 |
| PM7_LUMO_Energy_ev | 0.325 |
| PM7_COSMO_Area_square_ang | 83.93 |
| PM7_COSMO_Volue_cubic_ang | 66.47 |
| PM7_Electron_Affinity_ev | -0.325 |
| PM7_Ionization_Energy_ev | 10.635 |
| PM7_Energy_Gap_ev | 10.96 |
| PM7_Global_Hardness_ev | 5.48 |
| PM7_Global_Softness_ev | 0.18248175182481752 |
| PM7_Chemical_Potential_ev | -5.155 |
| PM7_Electronigativity_ev | 5.155 |
| PM7_Back_Donation_Energy_ev | -1.37 |
| PM7_Electrophilicity_ev | 2.4246373175182483 |
| OPENEYE_Name | methylphosphane |
| SMILES | CP |
| Canonical_SMILES | CP |
| InChI | 1/CH5P/c1-2/h2H2,1H3 |
| InChI_3D | 1S/CH5P/c1-2/h2H2,1H3 |
| AuxInfo | 1/0/N:1,2/rA:7nCPHHHHH/rB:s1;s1;s1;s1;s2;s2;/rC:;0,1,0;.5,0,0;0,-.5,0;-.5,0,0;-.433,1.25,0;.433,1.25,0; |
| Duplicates | ChEBI35887 |
| mol2_Path | /CCDB/ChEBI/Database/Compound-0000000000-0000049999/Compound-0000035750-0000035999/ChEBI35887.mol2 |
| pdbqt_Path | /CCDB/ChEBI/Database/Compound-0000000000-0000049999/Compound-0000035750-0000035999/ChEBI35887.pdbqt |
| sdf_Path | /CCDB/ChEBI/Database/Compound-0000000000-0000049999/Compound-0000035750-0000035999/ChEBI35887.sdf |