| Formula | HO |
| MW | 17.01 |
| InChIKey | XLYOFNOQVPJJNP-GQUHXALONA-M |
| Entry_Date | 2023-11-01 |
| Net_Charge | -1 |
| Number_Atoms | 3 |
| Number_Heavy_Atoms | 1 |
| Number_Rings | 0 |
| Number_Bonds | 2 |
| Rotat_Bonds | 0 |
| Unbranched_Chain | 1 |
| 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 |
| logP | -0.0643 |
| PSA | 9.23 |
| MR | 3.0478 |
| ABS | 0.85 |
| Solubility | highly |
| Aggregator | Pass |
| PM7_Heat_of_Formation_kcal_per_mol | -31.56166 |
| PM7_Total_Energy_ev | -308.21208 |
| PM7_Electronic_Energy_ev | -376.68049 |
| PM7_Dipole_Debye | 1.70755 |
| PM7_Point_Group | C*v |
| PM7_HOMO_Energy_ev | -1.762 |
| PM7_LUMO_Energy_ev | 14.771 |
| PM7_COSMO_Area_square_ang | 39.79 |
| PM7_COSMO_Volue_cubic_ang | 23.28 |
| PM7_Electron_Affinity_ev | -14.771 |
| PM7_Ionization_Energy_ev | 1.762 |
| PM7_Energy_Gap_ev | 16.533 |
| PM7_Global_Hardness_ev | 8.2665 |
| PM7_Global_Softness_ev | 0.12097018085042037 |
| PM7_Chemical_Potential_ev | 6.5045 |
| PM7_Electronigativity_ev | -6.5045 |
| PM7_Back_Donation_Energy_ev | -2.066625 |
| PM7_Electrophilicity_ev | 2.559034673078086 |
| OPENEYE_Name | hydroxide |
| SMILES | [OH-] |
| Canonical_SMILES | O |
| InChI | 1/H2O/h1H2/p-1/fHO/h1h/q-1 |
| InChI_3D | 1S/H2O/h1H2 |
| AuxInfo | 1/1/N:1/F:m/rA:2nO-H/rB:s1;/rC:;.5,0,0; |
| Duplicates | ChEBI16234;ChEBI29915_s0;ChEBI81907_m2;ChEBI81907_m3 |
| mol2_Path | /CCDB/ChEBI/Database/Compound-0000000000-0000049999/Compound-0000016000-0000016249/ChEBI16234.mol2 |
| pdbqt_Path | /CCDB/ChEBI/Database/Compound-0000000000-0000049999/Compound-0000016000-0000016249/ChEBI16234.pdbqt |
| sdf_Path | /CCDB/ChEBI/Database/Compound-0000000000-0000049999/Compound-0000016000-0000016249/ChEBI16234.sdf |