| Formula | N2O2 |
| MW | 60.01 |
| InChIKey | AZLYZRGJCVQKKK-UHFFFAOYNA-N |
| Entry_Date | 2023-11-01 |
| Net_Charge | 0 |
| Number_Atoms | 4 |
| Number_Heavy_Atoms | 4 |
| Number_Rings | 0 |
| Number_Bonds | 3 |
| Rotat_Bonds | 0 |
| Unbranched_Chain | 4 |
| Chiral_Centers | 0 |
| ONatoms | 4 |
| HB_Donor | 0 |
| HB_Acceptor | 2 |
| OpenEye_HB_Donors | 0 |
| OpenEye_HB_Acceptors | 2 |
| Lipinski_HB_Donors | 0 |
| Lipinski_HB_Acceptors | 4 |
| Lipinski_Violations | 0 |
| XLogP3 | 0 |
| XLogP | -0.16 |
| logP | 0.4342 |
| PSA | 58.86 |
| MR | 11.59 |
| ABS | 0.55 |
| Solubility | highly |
| Aggregator | Pass |
| PM7_Heat_of_Formation_kcal_per_mol | 47.28554 |
| PM7_Total_Energy_ev | -958.13496 |
| PM7_Electronic_Energy_ev | -2203.65867 |
| PM7_Dipole_Debye | 0.00015 |
| PM7_Point_Group | C2h |
| PM7_HOMO_Energy_ev | -9.904 |
| PM7_LUMO_Energy_ev | -2.654 |
| PM7_COSMO_Area_square_ang | 79.51 |
| PM7_COSMO_Volue_cubic_ang | 60 |
| PM7_Electron_Affinity_ev | 2.654 |
| PM7_Ionization_Energy_ev | 9.904 |
| PM7_Energy_Gap_ev | 7.25 |
| PM7_Global_Hardness_ev | 3.625 |
| PM7_Global_Softness_ev | 0.27586206896551724 |
| PM7_Chemical_Potential_ev | -6.279 |
| PM7_Electronigativity_ev | 6.279 |
| PM7_Back_Donation_Energy_ev | -0.90625 |
| PM7_Electrophilicity_ev | 5.438047034482759 |
| OPENEYE_Name | ~{N}-oxonitrous amide |
| SMILES | N(=O)N=O |
| Canonical_SMILES | O=NN=O |
| InChI | 1/N2O2/c3-1-2-4 |
| InChI_3D | 1S/N2O2/c3-1-2-4 |
| AuxInfo | 1/0/N:1,2,3,4/E:(1,2)(3,4)/rA:4nNNOO/rB:s1;d1;d2;/rC:;1,0,0;-.5,-.866,0;1.5,.866,0; |
| Duplicates | ChEBI29797 |
| mol2_Path | /CCDB/ChEBI/Database/Compound-0000000000-0000049999/Compound-0000029750-0000029999/ChEBI29797.mol2 |
| pdbqt_Path | /CCDB/ChEBI/Database/Compound-0000000000-0000049999/Compound-0000029750-0000029999/ChEBI29797.pdbqt |
| sdf_Path | /CCDB/ChEBI/Database/Compound-0000000000-0000049999/Compound-0000029750-0000029999/ChEBI29797.sdf |