| Formula | Cl3P |
| MW | 137.33 |
| InChIKey | FAIAAWCVCHQXDN-UHFFFAOYNA-N |
| Entry_Date | 2023-11-01 |
| Net_Charge | 0 |
| Number_Atoms | 4 |
| Number_Heavy_Atoms | 4 |
| 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 | 2.35 |
| logP | 2.9297 |
| PSA | 13.59 |
| MR | 24.479 |
| ABS | 0.55 |
| Solubility | soluble |
| Aggregator | Pass |
| PM7_Heat_of_Formation_kcal_per_mol | -53.38312 |
| PM7_Total_Energy_ev | -977.61947 |
| PM7_Electronic_Energy_ev | -2059.47913 |
| PM7_Dipole_Debye | 0.95289 |
| PM7_Point_Group | C3v |
| PM7_HOMO_Energy_ev | -10.842 |
| PM7_LUMO_Energy_ev | -1.684 |
| PM7_COSMO_Area_square_ang | 124.71 |
| PM7_COSMO_Volue_cubic_ang | 115.5 |
| PM7_Electron_Affinity_ev | 1.684 |
| PM7_Ionization_Energy_ev | 10.842 |
| PM7_Energy_Gap_ev | 9.158 |
| PM7_Global_Hardness_ev | 4.579 |
| PM7_Global_Softness_ev | 0.21838829438742083 |
| PM7_Chemical_Potential_ev | -6.263 |
| PM7_Electronigativity_ev | 6.263 |
| PM7_Back_Donation_Energy_ev | -1.14475 |
| PM7_Electrophilicity_ev | 4.2831588774841665 |
| OPENEYE_Name | trichlorophosphane |
| SMILES | P(Cl)(Cl)Cl |
| Canonical_SMILES | ClP(Cl)Cl |
| InChI | 1/Cl3P/c1-4(2)3 |
| InChI_3D | 1S/Cl3P/c1-4(2)3 |
| AuxInfo | 1/0/N:2,3,4,1/E:(1,2,3)/rA:4nPClClCl/rB:s1;s1;s1;/rC:;1,0,0;-.5,-.866,0;-.5,.866,0; |
| Duplicates | ChEBI30334 |
| mol2_Path | /CCDB/ChEBI/Database/Compound-0000000000-0000049999/Compound-0000030250-0000030499/ChEBI30334.mol2 |
| pdbqt_Path | /CCDB/ChEBI/Database/Compound-0000000000-0000049999/Compound-0000030250-0000030499/ChEBI30334.pdbqt |
| sdf_Path | /CCDB/ChEBI/Database/Compound-0000000000-0000049999/Compound-0000030250-0000030499/ChEBI30334.sdf |