| Formula | H2N2 |
| MW | 30.03 |
| InChIKey | RAABOESOVLLHRU-UHFFFAOYNA-N |
| Entry_Date | 2023-11-01 |
| Net_Charge | 0 |
| Number_Atoms | 4 |
| Number_Heavy_Atoms | 2 |
| Number_Rings | 0 |
| Number_Bonds | 3 |
| Rotat_Bonds | 0 |
| Unbranched_Chain | 2 |
| Chiral_Centers | 0 |
| ONatoms | 2 |
| HB_Donor | 0 |
| HB_Acceptor | 0 |
| OpenEye_HB_Donors | 2 |
| OpenEye_HB_Acceptors | 2 |
| Lipinski_HB_Donors | 2 |
| Lipinski_HB_Acceptors | 2 |
| Lipinski_Violations | 0 |
| XLogP3 | 0 |
| XLogP | -0.32 |
| logP | 0.7956 |
| PSA | 47.7 |
| MR | 6.7814 |
| ABS | 0.55 |
| Solubility | soluble |
| Aggregator | Pass |
| PM7_Heat_of_Formation_kcal_per_mol | 48.93154 |
| PM7_Total_Energy_ev | -397.69673 |
| PM7_Electronic_Energy_ev | -795.47189 |
| PM7_Dipole_Debye | 3.53666 |
| PM7_Point_Group | C2v |
| PM7_HOMO_Energy_ev | -10.726 |
| PM7_LUMO_Energy_ev | -0.281 |
| PM7_COSMO_Area_square_ang | 60.49 |
| PM7_COSMO_Volue_cubic_ang | 41.83 |
| PM7_Electron_Affinity_ev | 0.281 |
| PM7_Ionization_Energy_ev | 10.726 |
| PM7_Energy_Gap_ev | 10.445 |
| PM7_Global_Hardness_ev | 5.2225 |
| PM7_Global_Softness_ev | 0.19147917663954045 |
| PM7_Chemical_Potential_ev | -5.5035 |
| PM7_Electronigativity_ev | 5.5035 |
| PM7_Back_Donation_Energy_ev | -1.305625 |
| PM7_Electrophilicity_ev | 2.8998096936333173 |
| OPENEYE_Name | diazene |
| SMILES | N=N |
| Canonical_SMILES | N=N |
| InChI | 1/H2N2/c1-2/h1-2H |
| InChI_3D | 1S/H2N2/c1-2/h1-2H/b2-1- |
| AuxInfo | 1/0/N:1,2/E:(1,2)/rA:4nNNHH/rB:w1;s1;s2;/rC:;1,0,0;-.25,-.433,0;1.25,.433,0; |
| Duplicates | ChEBI29277_p7;ChEBI30094_p7;ChEBI30096_s0;ChEBI30103_p7 |
| mol2_Path | /CCDB/ChEBI/Database/Compound-0000000000-0000049999/Compound-0000029250-0000029499/ChEBI29277_p7.mol2 |
| pdbqt_Path | /CCDB/ChEBI/Database/Compound-0000000000-0000049999/Compound-0000029250-0000029499/ChEBI29277_p7.pdbqt |
| sdf_Path | /CCDB/ChEBI/Database/Compound-0000000000-0000049999/Compound-0000029250-0000029499/ChEBI29277_p7.sdf |