| Formula | H3NO |
| MW | 33.03 |
| InChIKey | AVXURJPOCDRRFD-UHFFFAOYNA-N |
| Entry_Date | 2023-11-01 |
| Net_Charge | 0 |
| Number_Atoms | 5 |
| Number_Heavy_Atoms | 2 |
| Number_Rings | 0 |
| Number_Bonds | 4 |
| Rotat_Bonds | 1 |
| Unbranched_Chain | 2 |
| Chiral_Centers | 0 |
| ONatoms | 2 |
| HB_Donor | 2 |
| HB_Acceptor | 1 |
| OpenEye_HB_Donors | 3 |
| OpenEye_HB_Acceptors | 2 |
| Lipinski_HB_Donors | 2 |
| Lipinski_HB_Acceptors | 2 |
| Lipinski_Violations | 0 |
| XLogP3 | 0 |
| XLogP | -1.22 |
| logP | 0.0346 |
| PSA | 46.25 |
| MR | 5.5509 |
| ABS | 0.55 |
| Solubility | highly |
| Aggregator | Pass |
| PM7_Heat_of_Formation_kcal_per_mol | -19.15435 |
| PM7_Total_Energy_ev | -520.91233 |
| PM7_Electronic_Energy_ev | -1070.97222 |
| PM7_Dipole_Debye | 0.83393 |
| PM7_Point_Group | Cs |
| PM7_HOMO_Energy_ev | -10.793 |
| PM7_LUMO_Energy_ev | 1.705 |
| PM7_COSMO_Area_square_ang | 61.93 |
| PM7_COSMO_Volue_cubic_ang | 42.77 |
| PM7_Electron_Affinity_ev | -1.705 |
| PM7_Ionization_Energy_ev | 10.793 |
| PM7_Energy_Gap_ev | 12.498 |
| PM7_Global_Hardness_ev | 6.249 |
| PM7_Global_Softness_ev | 0.16002560409665548 |
| PM7_Chemical_Potential_ev | -4.544 |
| PM7_Electronigativity_ev | 4.544 |
| PM7_Back_Donation_Energy_ev | -1.56225 |
| PM7_Electrophilicity_ev | 1.65209921587454 |
| OPENEYE_Name | hydroxylamine |
| SMILES | NO |
| Canonical_SMILES | NO |
| InChI | 1/H3NO/c1-2/h2H,1H2 |
| InChI_3D | 1S/H3NO/c1-2/h2H,1H2 |
| AuxInfo | 1/0/N:1,2/rA:5nNOHHH/rB:s1;s1;s1;s2;/rC:;1,0,0;-.25,-.433,0;-.25,.433,0;1.25,.433,0; |
| Duplicates | ChEBI5807_m1;ChEBI15429 |
| mol2_Path | /CCDB/ChEBI/Database/Compound-0000000000-0000049999/Compound-0000005750-0000005999/ChEBI5807_m1.mol2 |
| pdbqt_Path | /CCDB/ChEBI/Database/Compound-0000000000-0000049999/Compound-0000005750-0000005999/ChEBI5807_m1.pdbqt |
| sdf_Path | /CCDB/ChEBI/Database/Compound-0000000000-0000049999/Compound-0000005750-0000005999/ChEBI5807_m1.sdf |