| Formula | HNO3 |
| MW | 63.01 |
| InChIKey | CMFNMSMUKZHDEY-UHFFFAOYNA-N |
| Entry_Date | 2023-11-01 |
| Net_Charge | 0 |
| Number_Atoms | 5 |
| Number_Heavy_Atoms | 4 |
| Number_Rings | 0 |
| Number_Bonds | 4 |
| Rotat_Bonds | 1 |
| Unbranched_Chain | 4 |
| Chiral_Centers | 0 |
| ONatoms | 4 |
| HB_Donor | 1 |
| HB_Acceptor | 2 |
| OpenEye_HB_Donors | 1 |
| OpenEye_HB_Acceptors | 3 |
| Lipinski_HB_Donors | 1 |
| Lipinski_HB_Acceptors | 4 |
| Lipinski_Violations | 0 |
| XLogP3 | 0 |
| XLogP | -1.11 |
| logP | 0.1574 |
| PSA | 58.89 |
| MR | 9.5088 |
| ABS | 0.55 |
| Solubility | highly |
| Aggregator | Pass |
| PM7_Heat_of_Formation_kcal_per_mol | 24.62214 |
| PM7_Total_Energy_ev | -1079.37864 |
| PM7_Electronic_Energy_ev | -2565.46551 |
| PM7_Dipole_Debye | 2.01851 |
| PM7_Point_Group | C1 |
| PM7_HOMO_Energy_ev | -10.906 |
| PM7_LUMO_Energy_ev | -1.674 |
| PM7_COSMO_Area_square_ang | 83.28 |
| PM7_COSMO_Volue_cubic_ang | 62.91 |
| PM7_Electron_Affinity_ev | 1.674 |
| PM7_Ionization_Energy_ev | 10.906 |
| PM7_Energy_Gap_ev | 9.232 |
| PM7_Global_Hardness_ev | 4.616 |
| PM7_Global_Softness_ev | 0.21663778162911612 |
| PM7_Chemical_Potential_ev | -6.29 |
| PM7_Electronigativity_ev | 6.29 |
| PM7_Back_Donation_Energy_ev | -1.154 |
| PM7_Electrophilicity_ev | 4.285539428076256 |
| OPENEYE_Name | hydroxy nitrite |
| SMILES | N(=O)OO |
| Canonical_SMILES | OON=O |
| InChI | 1/HNO3/c2-1-4-3/h3H |
| InChI_3D | 1S/HNO3/c2-1-4-3/h3H |
| AuxInfo | 1/0/N:1,3,2,4/rA:5nNOOOH/rB:;d1;s1s2;s2;/rC:;-1.5,-.866,0;1,0,0;-.5,-.866,0;-1.75,-1.299,0; |
| Duplicates | ChEBI25941;ChEBI25942;ChEBI29330_s0 |
| mol2_Path | /CCDB/ChEBI/Database/Compound-0000000000-0000049999/Compound-0000025750-0000025999/ChEBI25941.mol2 |
| pdbqt_Path | /CCDB/ChEBI/Database/Compound-0000000000-0000049999/Compound-0000025750-0000025999/ChEBI25941.pdbqt |
| sdf_Path | /CCDB/ChEBI/Database/Compound-0000000000-0000049999/Compound-0000025750-0000025999/ChEBI25941.sdf |