| Formula | HBr |
| MW | 80.91 |
| InChIKey | CPELXLSAUQHCOX-UHFFFAOYNA-N |
| Entry_Date | 2023-11-01 |
| Net_Charge | 0 |
| Number_Atoms | 2 |
| Number_Heavy_Atoms | 1 |
| Number_Rings | 0 |
| Number_Bonds | 1 |
| 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 | 0.97 |
| logP | 0.9581 |
| PSA | 0 |
| MR | 10.039 |
| ABS | 0.55 |
| Solubility | very |
| Aggregator | Pass |
| PM7_Heat_of_Formation_kcal_per_mol | -4.05869 |
| PM7_Total_Energy_ev | -235.96749 |
| PM7_Electronic_Energy_ev | -290.96145 |
| PM7_Dipole_Debye | 1.62613 |
| PM7_Point_Group | C*v |
| PM7_HOMO_Energy_ev | -10.653 |
| PM7_LUMO_Energy_ev | 1.931 |
| PM7_COSMO_Area_square_ang | 60.45 |
| PM7_COSMO_Volue_cubic_ang | 43.87 |
| PM7_Electron_Affinity_ev | -1.931 |
| PM7_Ionization_Energy_ev | 10.653 |
| PM7_Energy_Gap_ev | 12.584 |
| PM7_Global_Hardness_ev | 6.292 |
| PM7_Global_Softness_ev | 0.1589319771137953 |
| PM7_Chemical_Potential_ev | -4.361 |
| PM7_Electronigativity_ev | 4.361 |
| PM7_Back_Donation_Energy_ev | -1.573 |
| PM7_Electrophilicity_ev | 1.5113096789574063 |
| OPENEYE_Name | hydrogen bromide |
| SMILES | Br |
| Canonical_SMILES | Br |
| InChI | 1/BrH/h1H |
| InChI_3D | 1S/BrH/h1H |
| AuxInfo | 1/0/N:1/rA:2nBrH/rB:s1;/rC:;.5,0,0; |
| Duplicates | ChEBI47266 |
| mol2_Path | /CCDB/ChEBI/Database/Compound-0000000000-0000049999/Compound-0000047250-0000047499/ChEBI47266.mol2 |
| pdbqt_Path | /CCDB/ChEBI/Database/Compound-0000000000-0000049999/Compound-0000047250-0000047499/ChEBI47266.pdbqt |
| sdf_Path | /CCDB/ChEBI/Database/Compound-0000000000-0000049999/Compound-0000047250-0000047499/ChEBI47266.sdf |