| Formula | H3N2 |
| MW | 31.04 |
| InChIKey | RAABOESOVLLHRU-APJPGCJUNA-O |
| Entry_Date | 2023-11-01 |
| Net_Charge | 1 |
| Number_Atoms | 5 |
| Number_Heavy_Atoms | 2 |
| Number_Rings | 0 |
| Number_Bonds | 4 |
| Rotat_Bonds | 0 |
| Unbranched_Chain | 2 |
| Chiral_Centers | 0 |
| ONatoms | 2 |
| HB_Donor | 0 |
| HB_Acceptor | 0 |
| OpenEye_HB_Donors | 3 |
| OpenEye_HB_Acceptors | 1 |
| Lipinski_HB_Donors | 2 |
| Lipinski_HB_Acceptors | 2 |
| Lipinski_Violations | 0 |
| XLogP3 | 0 |
| XLogP | -0.32 |
| logP | 1.0098 |
| PSA | 49.87 |
| MR | 7.7441 |
| ABS | 0.55 |
| Solubility | soluble |
| Aggregator | Pass |
| PM7_Heat_of_Formation_kcal_per_mol | 234.01543 |
| PM7_Total_Energy_ev | -402.99977 |
| PM7_Electronic_Energy_ev | -884.93488 |
| PM7_Dipole_Debye | 3.10153 |
| PM7_Point_Group | Cs |
| PM7_HOMO_Energy_ev | -18.952 |
| PM7_LUMO_Energy_ev | -8.346 |
| PM7_COSMO_Area_square_ang | 63.45 |
| PM7_COSMO_Volue_cubic_ang | 44.11 |
| PM7_Electron_Affinity_ev | 8.346 |
| PM7_Ionization_Energy_ev | 18.952 |
| PM7_Energy_Gap_ev | 10.606 |
| PM7_Global_Hardness_ev | 5.303 |
| PM7_Global_Softness_ev | 0.18857250612860646 |
| PM7_Chemical_Potential_ev | -13.649 |
| PM7_Electronigativity_ev | 13.649 |
| PM7_Back_Donation_Energy_ev | -1.32575 |
| PM7_Electrophilicity_ev | 17.565076466151236 |
| OPENEYE_Name | iminoammonium |
| SMILES | N=[NH2+] |
| Canonical_SMILES | N=[NH2] |
| InChI | 1/H2N2/c1-2/h1-2H/p+1/fH3N2/h1H/q+1 |
| InChI_3D | 1S/H3N2/c1-2/h1H,2H2 |
| AuxInfo | 1/1/N:1,2/E:(1,2)/F:2,1/rA:5nNN+HHH/rB:d1;s1;s2;s2;/rC:;1,0,0;-.25,-.433,0;1.25,.433,0;1.25,-.433,0; |
| Duplicates | ChEBI30094_p0 |
| mol2_Path | /CCDB/ChEBI/Database/Compound-0000000000-0000049999/Compound-0000030000-0000030249/ChEBI30094_p0.mol2 |
| pdbqt_Path | /CCDB/ChEBI/Database/Compound-0000000000-0000049999/Compound-0000030000-0000030249/ChEBI30094_p0.pdbqt |
| sdf_Path | /CCDB/ChEBI/Database/Compound-0000000000-0000049999/Compound-0000030000-0000030249/ChEBI30094_p0.sdf |