| Formula | HClO |
| MW | 52.46 |
| InChIKey | QWPPOHNGKGFGJK-UHFFFAOYNA-N |
| Entry_Date | 2023-09-01 |
| Net_Charge | 0 |
| Number_Atoms | 3 |
| Number_Heavy_Atoms | 2 |
| Number_Rings | 0 |
| Number_Bonds | 2 |
| Rotat_Bonds | 0 |
| Unbranched_Chain | 2 |
| Chiral_Centers | 0 |
| ONatoms | 1 |
| HB_Donor | 1 |
| HB_Acceptor | 1 |
| OpenEye_HB_Donors | 1 |
| OpenEye_HB_Acceptors | 1 |
| Lipinski_HB_Donors | 1 |
| Lipinski_HB_Acceptors | 1 |
| Lipinski_Violations | 0 |
| XLogP3 | 0 |
| XLogP | 0.08 |
| logP | 0.5127 |
| PSA | 20.23 |
| MR | 7.7888 |
| ABS | 0.55 |
| Solubility | very |
| Aggregator | Pass |
| PM7_Heat_of_Formation_kcal_per_mol | -22.21324 |
| PM7_Total_Energy_ev | -574.30476 |
| PM7_Electronic_Energy_ev | -990.49772 |
| PM7_Dipole_Debye | 1.55673 |
| PM7_Point_Group | Cs |
| PM7_HOMO_Energy_ev | -10.778 |
| PM7_LUMO_Energy_ev | -0.835 |
| PM7_COSMO_Area_square_ang | 67.4 |
| PM7_COSMO_Volue_cubic_ang | 49.18 |
| PM7_Electron_Affinity_ev | 0.835 |
| PM7_Ionization_Energy_ev | 10.778 |
| PM7_Energy_Gap_ev | 9.943 |
| PM7_Global_Hardness_ev | 4.9715 |
| PM7_Global_Softness_ev | 0.2011465352509303 |
| PM7_Chemical_Potential_ev | -5.8065 |
| PM7_Electronigativity_ev | 5.8065 |
| PM7_Back_Donation_Energy_ev | -1.242875 |
| PM7_Electrophilicity_ev | 3.390872196520165 |
| OPENEYE_Name | hypochlorous acid |
| SMILES | OCl |
| Canonical_SMILES | OCl |
| InChI | 1/ClHO/c1-2/h2H |
| InChI_3D | 1S/ClHO/c1-2/h2H |
| AuxInfo | 1/0/N:2,1/rA:3nOClH/rB:s1;s1;/rC:;1,0,0;-.25,-.433,0; |
| Duplicates | DB11123;DB14135;DB15912_m1;DB15912_m2 |
| mol2_Path | /CCDB/DrugBank/Database/Compound-0000000000-0000049999/Compound-0000011000-0000011249/DB11123.mol2 |
| pdbqt_Path | /CCDB/DrugBank/Database/Compound-0000000000-0000049999/Compound-0000011000-0000011249/DB11123.pdbqt |
| sdf_Path | /CCDB/DrugBank/Database/Compound-0000000000-0000049999/Compound-0000011000-0000011249/DB11123.sdf |