| Formula | H4N2O |
| MW | 48.04 |
| InChIKey | GASFVSRUEBGMDI-UHFFFAOYNA-N |
| Entry_Date | 2023-09-01 |
| Net_Charge | 0 |
| Number_Atoms | 7 |
| Number_Heavy_Atoms | 3 |
| Number_Rings | 0 |
| Number_Bonds | 6 |
| Rotat_Bonds | 1 |
| Unbranched_Chain | 3 |
| Chiral_Centers | 0 |
| ONatoms | 3 |
| HB_Donor | 3 |
| HB_Acceptor | 1 |
| OpenEye_HB_Donors | 4 |
| OpenEye_HB_Acceptors | 3 |
| Lipinski_HB_Donors | 3 |
| Lipinski_HB_Acceptors | 3 |
| Lipinski_Violations | 0 |
| XLogP3 | 0 |
| XLogP | -1.37 |
| logP | -0.0699 |
| PSA | 58.28 |
| MR | 8.3526 |
| ABS | 0.55 |
| Solubility | highly |
| Aggregator | Pass |
| PM7_Heat_of_Formation_kcal_per_mol | 2.4055 |
| PM7_Total_Energy_ev | -719.88415 |
| PM7_Electronic_Energy_ev | -1843.88022 |
| PM7_Dipole_Debye | 2.43211 |
| PM7_Point_Group | C1 |
| PM7_HOMO_Energy_ev | -9.735 |
| PM7_LUMO_Energy_ev | 1.344 |
| PM7_COSMO_Area_square_ang | 78.84 |
| PM7_COSMO_Volue_cubic_ang | 59.14 |
| PM7_Electron_Affinity_ev | -1.344 |
| PM7_Ionization_Energy_ev | 9.735 |
| PM7_Energy_Gap_ev | 11.079 |
| PM7_Global_Hardness_ev | 5.5395 |
| PM7_Global_Softness_ev | 0.18052170773535517 |
| PM7_Chemical_Potential_ev | -4.1955 |
| PM7_Electronigativity_ev | 4.1955 |
| PM7_Back_Donation_Energy_ev | -1.384875 |
| PM7_Electrophilicity_ev | 1.5887914297319252 |
| OPENEYE_Name | ~{N}-aminohydroxylamine |
| SMILES | NNO |
| Canonical_SMILES | NNO |
| InChI | 1/H4N2O/c1-2-3/h2-3H,1H2 |
| InChI_3D | 1S/H4N2O/c1-2-3/h2-3H,1H2 |
| AuxInfo | 1/0/N:1,2,3/rA:7nNNOHHHH/rB:s1;s2;s1;s1;s2;s3;/rC:;1,0,0;1.5,.866,0;-.25,-.433,0;-.25,.433,0;1.25,-.433,0;2,.866,0; |
| Duplicates | DB06690_t1 |
| mol2_Path | /CCDB/DrugBank/Database/Compound-0000000000-0000049999/Compound-0000006500-0000006749/DB06690_t1.mol2 |
| pdbqt_Path | /CCDB/DrugBank/Database/Compound-0000000000-0000049999/Compound-0000006500-0000006749/DB06690_t1.pdbqt |
| sdf_Path | /CCDB/DrugBank/Database/Compound-0000000000-0000049999/Compound-0000006500-0000006749/DB06690_t1.sdf |