| Formula | CH2O |
| MW | 30.03 |
| InChIKey | WSFSSNUMVMOOMR-UHFFFAOYNA-N |
| Entry_Date | 2023-09-01 |
| 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 | 1 |
| HB_Donor | 0 |
| HB_Acceptor | 1 |
| OpenEye_HB_Donors | 0 |
| OpenEye_HB_Acceptors | 1 |
| Lipinski_HB_Donors | 0 |
| Lipinski_HB_Acceptors | 1 |
| Lipinski_Violations | 0 |
| XLogP3 | 0 |
| XLogP | -0.39 |
| logP | 0.451 |
| PSA | 17.07 |
| MR | 7.51 |
| ABS | 0.55 |
| Solubility | very |
| Aggregator | Pass |
| PM7_Heat_of_Formation_kcal_per_mol | -25.00623 |
| PM7_Total_Energy_ev | -444.358 |
| PM7_Electronic_Energy_ev | -836.07212 |
| PM7_Dipole_Debye | 2.71699 |
| PM7_Point_Group | C2v |
| PM7_HOMO_Energy_ev | -10.331 |
| PM7_LUMO_Energy_ev | 0.327 |
| PM7_COSMO_Area_square_ang | 60.76 |
| PM7_COSMO_Volue_cubic_ang | 42.7 |
| PM7_Electron_Affinity_ev | -0.327 |
| PM7_Ionization_Energy_ev | 10.331 |
| PM7_Energy_Gap_ev | 10.658 |
| PM7_Global_Hardness_ev | 5.329 |
| PM7_Global_Softness_ev | 0.18765246762994933 |
| PM7_Chemical_Potential_ev | -5.002 |
| PM7_Electronigativity_ev | 5.002 |
| PM7_Back_Donation_Energy_ev | -1.33225 |
| PM7_Electrophilicity_ev | 2.3475327453556014 |
| OPENEYE_Name | formaldehyde |
| SMILES | C=O |
| Canonical_SMILES | C=O |
| InChI | 1/CH2O/c1-2/h1H2 |
| InChI_3D | 1S/CH2O/c1-2/h1H2 |
| AuxInfo | 1/0/N:1,2/rA:4nCOHH/rB:d1;s1;s1;/rC:;1,0,0;-.25,-.433,0;-.25,.433,0; |
| Duplicates | DB03843 |
| mol2_Path | /CCDB/DrugBank/Database/Compound-0000000000-0000049999/Compound-0000003750-0000003999/DB03843.mol2 |
| pdbqt_Path | /CCDB/DrugBank/Database/Compound-0000000000-0000049999/Compound-0000003750-0000003999/DB03843.pdbqt |
| sdf_Path | /CCDB/DrugBank/Database/Compound-0000000000-0000049999/Compound-0000003750-0000003999/DB03843.sdf |