| Formula | HNO2 |
| MW | 47.01 |
| InChIKey | IOVCWXUNBOPUCH-QEZKKOIZNA-N |
| Entry_Date | 2023-09-01 |
| Net_Charge | 0 |
| Number_Atoms | 4 |
| Number_Heavy_Atoms | 3 |
| Number_Rings | 0 |
| Number_Bonds | 3 |
| Rotat_Bonds | 1 |
| Unbranched_Chain | 3 |
| Chiral_Centers | 0 |
| ONatoms | 3 |
| HB_Donor | 1 |
| HB_Acceptor | 2 |
| OpenEye_HB_Donors | 1 |
| OpenEye_HB_Acceptors | 2 |
| Lipinski_HB_Donors | 1 |
| Lipinski_HB_Acceptors | 3 |
| Lipinski_Violations | 0 |
| XLogP3 | 0 |
| XLogP | -0.86 |
| logP | 0.142 |
| PSA | 49.66 |
| MR | 7.5815 |
| ABS | 0.55 |
| Solubility | highly |
| Aggregator | Pass |
| PM7_Heat_of_Formation_kcal_per_mol | -0.26926 |
| PM7_Total_Energy_ev | -786.94819 |
| PM7_Electronic_Energy_ev | -1635.37062 |
| PM7_Dipole_Debye | 2.01555 |
| PM7_Point_Group | Cs |
| PM7_HOMO_Energy_ev | -11.051 |
| PM7_LUMO_Energy_ev | -1.442 |
| PM7_COSMO_Area_square_ang | 69.12 |
| PM7_COSMO_Volue_cubic_ang | 49.68 |
| PM7_Electron_Affinity_ev | 1.442 |
| PM7_Ionization_Energy_ev | 11.051 |
| PM7_Energy_Gap_ev | 9.609 |
| PM7_Global_Hardness_ev | 4.8045 |
| PM7_Global_Softness_ev | 0.2081382037673015 |
| PM7_Chemical_Potential_ev | -6.2465 |
| PM7_Electronigativity_ev | 6.2465 |
| PM7_Back_Donation_Energy_ev | -1.201125 |
| PM7_Electrophilicity_ev | 4.060647543969195 |
| OPENEYE_Name | nitrous acid |
| SMILES | N(=O)O |
| Canonical_SMILES | ON=O |
| InChI | 1/HNO2/c2-1-3/h(H,2,3)/f/h2H |
| InChI_3D | 1S/HNO2/c2-1-3/h(H,2,3) |
| AuxInfo | 1/1/N:1,2,3/E:(2,3)/F:1,3,2/rA:4nNOOH/rB:d1;s1;s3;/rC:;1,0,0;-.5,-.866,0;-1,-.866,0; |
| Duplicates | DB09112 |
| mol2_Path | /CCDB/DrugBank/Database/Compound-0000000000-0000049999/Compound-0000009000-0000009249/DB09112.mol2 |
| pdbqt_Path | /CCDB/DrugBank/Database/Compound-0000000000-0000049999/Compound-0000009000-0000009249/DB09112.pdbqt |
| sdf_Path | /CCDB/DrugBank/Database/Compound-0000000000-0000049999/Compound-0000009000-0000009249/DB09112.sdf |