| Formula | H2NO |
| MW | 32.02 |
| InChIKey | ZXKINMCYCKHYFR-UHFFFAOYNA-N |
| Entry_Date | 2023-11-01 |
| Net_Charge | -1 |
| 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 | 2 |
| OpenEye_HB_Acceptors | 2 |
| Lipinski_HB_Donors | 1 |
| Lipinski_HB_Acceptors | 2 |
| Lipinski_Violations | 0 |
| XLogP3 | 0 |
| XLogP | -1.88 |
| logP | 0.0346 |
| PSA | 46.25 |
| MR | 5.5509 |
| ABS | 0.85 |
| Solubility | highly |
| Aggregator | Pass |
| PM7_Heat_of_Formation_kcal_per_mol | 23.111 |
| PM7_Total_Energy_ev | -505.75037 |
| PM7_Electronic_Energy_ev | -943.49296 |
| PM7_Dipole_Debye | 3.57172 |
| PM7_Point_Group | C2v |
| PM7_HOMO_Energy_ev | 0.015 |
| PM7_LUMO_Energy_ev | 9.838 |
| PM7_COSMO_Area_square_ang | 59.27 |
| PM7_COSMO_Volue_cubic_ang | 40.04 |
| PM7_Electron_Affinity_ev | -9.838 |
| PM7_Ionization_Energy_ev | -0.015 |
| PM7_Energy_Gap_ev | 9.823 |
| PM7_Global_Hardness_ev | 4.9115 |
| PM7_Global_Softness_ev | 0.20360378703043877 |
| PM7_Chemical_Potential_ev | 4.9265 |
| PM7_Electronigativity_ev | -4.9265 |
| PM7_Back_Donation_Energy_ev | -1.227875 |
| PM7_Electrophilicity_ev | 2.470772905426041 |
| OPENEYE_Name | BLAH |
| SMILES | N[O-] |
| Canonical_SMILES | NO |
| InChI | 1/H2NO/c1-2/h1H2/q-1 |
| InChI_3D | 1S/H3NO/c1-2/h2H,1H2 |
| AuxInfo | 1/0/N:1,2/CRV:2-1/rA:4nNO-HH/rB:s1;s1;s1;/rC:;1,0,0;-.25,-.433,0;-.25,.433,0; |
| Duplicates | ChEBI29272_s0;ChEBI29767_s0;ChEBI29773 |
| mol2_Path | /CCDB/ChEBI/Database/Compound-0000000000-0000049999/Compound-0000029250-0000029499/ChEBI29272_s0.mol2 |
| pdbqt_Path | /CCDB/ChEBI/Database/Compound-0000000000-0000049999/Compound-0000029250-0000029499/ChEBI29272_s0.pdbqt |
| sdf_Path | /CCDB/ChEBI/Database/Compound-0000000000-0000049999/Compound-0000029250-0000029499/ChEBI29272_s0.sdf |