| Formula | N2O3 |
| MW | 76.01 |
| InChIKey | SEOYNUHKXVGWFU-UHFFFAOYNA-N |
| Entry_Date | 2023-11-01 |
| Net_Charge | 0 |
| Number_Atoms | 5 |
| Number_Heavy_Atoms | 5 |
| Number_Rings | 0 |
| Number_Bonds | 4 |
| Rotat_Bonds | 0 |
| Unbranched_Chain | 5 |
| Chiral_Centers | 0 |
| ONatoms | 5 |
| HB_Donor | 0 |
| HB_Acceptor | 2 |
| OpenEye_HB_Donors | 0 |
| OpenEye_HB_Acceptors | 4 |
| Lipinski_HB_Donors | 0 |
| Lipinski_HB_Acceptors | 5 |
| Lipinski_Violations | 0 |
| XLogP3 | 0 |
| XLogP | -0.41 |
| logP | 0.3658 |
| PSA | 68.09 |
| MR | 12.675 |
| ABS | 0.55 |
| Solubility | highly |
| Aggregator | Pass |
| PM7_Heat_of_Formation_kcal_per_mol | 62.1057 |
| PM7_Total_Energy_ev | -1251.00008 |
| PM7_Electronic_Energy_ev | -3170.42902 |
| PM7_Dipole_Debye | 0.35073 |
| PM7_Point_Group | C2v |
| PM7_HOMO_Energy_ev | -11.398 |
| PM7_LUMO_Energy_ev | -2.471 |
| PM7_COSMO_Area_square_ang | 94.99 |
| PM7_COSMO_Volue_cubic_ang | 74.34 |
| PM7_Electron_Affinity_ev | 2.471 |
| PM7_Ionization_Energy_ev | 11.398 |
| PM7_Energy_Gap_ev | 8.927 |
| PM7_Global_Hardness_ev | 4.4635 |
| PM7_Global_Softness_ev | 0.2240394309398454 |
| PM7_Chemical_Potential_ev | -6.9345 |
| PM7_Electronigativity_ev | 6.9345 |
| PM7_Back_Donation_Energy_ev | -1.115875 |
| PM7_Electrophilicity_ev | 5.386724571524589 |
| OPENEYE_Name | nitroso nitrite |
| SMILES | N(=O)ON=O |
| Canonical_SMILES | O=NON=O |
| InChI | 1/N2O3/c3-1-5-2-4 |
| InChI_3D | 1S/N2O3/c3-1-5-2-4 |
| AuxInfo | 1/0/N:1,2,3,4,5/E:(1,2)(3,4)/rA:5nNNOOO/rB:;d1;d2;s1s2;/rC:;-1.5,-.866,0;1,0,0;-2,-1.7321,0;-.5,-.866,0; |
| Duplicates | ChEBI29800 |
| mol2_Path | /CCDB/ChEBI/Database/Compound-0000000000-0000049999/Compound-0000029750-0000029999/ChEBI29800.mol2 |
| pdbqt_Path | /CCDB/ChEBI/Database/Compound-0000000000-0000049999/Compound-0000029750-0000029999/ChEBI29800.pdbqt |
| sdf_Path | /CCDB/ChEBI/Database/Compound-0000000000-0000049999/Compound-0000029750-0000029999/ChEBI29800.sdf |