| Formula | N2 |
| MW | 28.01 |
| InChIKey | IJGRMHOSHXDMSA-UHFFFAOYNA-N |
| Entry_Date | 2023-09-01 |
| Net_Charge | 0 |
| Number_Atoms | 2 |
| Number_Heavy_Atoms | 2 |
| Number_Rings | 0 |
| Number_Bonds | 1 |
| Rotat_Bonds | 0 |
| Unbranched_Chain | 2 |
| Chiral_Centers | 0 |
| ONatoms | 2 |
| HB_Donor | 0 |
| HB_Acceptor | 0 |
| OpenEye_HB_Donors | 0 |
| OpenEye_HB_Acceptors | 2 |
| Lipinski_HB_Donors | 0 |
| Lipinski_HB_Acceptors | 2 |
| Lipinski_Violations | 0 |
| XLogP3 | 0 |
| XLogP | -0.13 |
| logP | 0.03016 |
| PSA | 47.58 |
| MR | 3.45 |
| ABS | 0.55 |
| Solubility | very |
| Aggregator | Pass |
| PM7_Heat_of_Formation_kcal_per_mol | 33.09625 |
| PM7_Total_Energy_ev | -371.72488 |
| PM7_Electronic_Energy_ev | -608.00739 |
| PM7_Dipole_Debye | 0 |
| PM7_Point_Group | D*h |
| PM7_HOMO_Energy_ev | -13.622 |
| PM7_LUMO_Energy_ev | -0.068 |
| PM7_COSMO_Area_square_ang | 54.76 |
| PM7_COSMO_Volue_cubic_ang | 37.01 |
| PM7_Electron_Affinity_ev | 0.068 |
| PM7_Ionization_Energy_ev | 13.622 |
| PM7_Energy_Gap_ev | 13.554 |
| PM7_Global_Hardness_ev | 6.777 |
| PM7_Global_Softness_ev | 0.14755791648221928 |
| PM7_Chemical_Potential_ev | -6.845 |
| PM7_Electronigativity_ev | 6.845 |
| PM7_Back_Donation_Energy_ev | -1.69425 |
| PM7_Electrophilicity_ev | 3.4568411539029067 |
| OPENEYE_Name | molecular nitrogen |
| SMILES | N#N |
| Canonical_SMILES | N#N |
| InChI | 1/N2/c1-2 |
| InChI_3D | 1S/N2/c1-2 |
| AuxInfo | 1/0/N:1,2/E:(1,2)/rA:2nNN/rB:t1;/rC:;1,0,0; |
| Duplicates | DB09152 |
| mol2_Path | /CCDB/DrugBank/Database/Compound-0000000000-0000049999/Compound-0000009000-0000009249/DB09152.mol2 |
| pdbqt_Path | /CCDB/DrugBank/Database/Compound-0000000000-0000049999/Compound-0000009000-0000009249/DB09152.pdbqt |
| sdf_Path | /CCDB/DrugBank/Database/Compound-0000000000-0000049999/Compound-0000009000-0000009249/DB09152.sdf |