| ID | 1071 |
| Name | Acetaminophen |
| Pubchem ID | 1983 |
| KEGG ID | D00217 |
| Source | Derivative of acetanilide |
| Type | Unknown |
| Function | Antipyretic |
| Drug Like Properties | Yes |
| Molecular Weight | 151.16 |
| Exact mass | 151.063329 |
| Molecular formula | C8H9NO2 |
| XlogP | 0.5 |
| Topological Polar Surface Area | 49.3 |
| H-Bond Donor | 2 |
| H-Bond Acceptor | 2 |
| Rotational Bond Count | 1 |
| IUPAC Name | N-(4-hydroxyphenyl)acetamide |
| Structure | |
| SDF file | |
| MOL file | |
| PDB file | |
| Canonical SMILE | CC(=O)NC1=CC=C(C=C1)O |
| Isomeric SMILE | N/A |
| Drugpedia | wiki |
| References | 1. Source 2. Function 3. All Records |
| ID | 1074 |
| Name | Acetaminophen |
| Pubchem ID | 24847933 |
| KEGG ID | N/A |
| Source | N/A |
| Type | Unknown |
| Function | Antipyretic |
| Drug Like Properties | No |
| Molecular Weight | 966.97 |
| Exact mass | 966.388835 |
| Molecular formula | C45H59N8O14P |
| XlogP | N/A |
| Topological Polar Surface Area | 303 |
| H-Bond Donor | 8 |
| H-Bond Acceptor | 16 |
| Rotational Bond Count | 6 |
| IUPAC Name | N/A |
| Structure | |
| SDF file | |
| MOL file | |
| PDB file | |
| Canonical SMILE | CC(C)CC1(C(=O)NC(=O)NC1=O)CC=C.CC(=O)NC1=CC=C(C=C1)O.CN1CCC23C4C1CC5=C2C(=C(C=C5)OC)OC3C(C=C4)O.CN1C=NC2=C1C(=O)N(C(=O)N2C)C.OP(=O)(O)O |
| Isomeric SMILE | CC(C)CC1(C(=O)NC(=O)NC1=O)CC=C.CC(=O)NC1=CC=C(C=C1)O.CN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)OC)O[C@H]3[C@H](C=C4)O.CN1C=NC2=C1C(=O)N(C(=O)N2C)C.OP(=O)(O)O |
| Drugpedia | wiki |
| References | 1. Source 2. Function 3. All Records |
| ID | 1234 |
| Name | Aspirin |
| Pubchem ID | 2244 |
| KEGG ID | D00109 |
| Source | N/A |
| Type | Unknown |
| Function | Antipyretic |
| Drug Like Properties | Yes |
| Molecular Weight | 180.16 |
| Exact mass | 180.042259 |
| Molecular formula | C9H8O4 |
| XlogP | 1.2 |
| Topological Polar Surface Area | 63.6 |
| H-Bond Donor | 1 |
| H-Bond Acceptor | 4 |
| Rotational Bond Count | 3 |
| IUPAC Name | 2-acetyloxybenzoic acid |
| Structure | |
| SDF file | |
| MOL file | |
| PDB file | |
| Canonical SMILE | CC(=O)OC1=CC=CC=C1C(=O)O |
| Isomeric SMILE | N/A |
| Drugpedia | wiki |
| References | 1. Source 2. Function 3. All Records |
| ID | 1237 |
| Name | Aspirin |
| Pubchem ID | 23724834 |
| KEGG ID | D02154 |
| Source | N/A |
| Type | Unknown |
| Function | Antipyretic |
| Drug Like Properties | No |
| Molecular Weight | 1328.84 |
| Exact mass | 1327.48672 |
| Molecular formula | C71H78ClN3O20 |
| XlogP | N/A |
| Topological Polar Surface Area | 315 |
| H-Bond Donor | 7 |
| H-Bond Acceptor | 23 |
| Rotational Bond Count | 8 |
| IUPAC Name | N/A |
| Structure | |
| SDF file | |
| MOL file | |
| PDB file | |
| Canonical SMILE | CC(=O)OC1=CC=CC=C1C(=O)O.CN1CCC23C4C(=O)CCC2(C1CC5=C3C(=C(C=C5)OC)O4)O.CN1CCC23C4C(=O)CCC2(C1CC5=C3C(=C(C=C5)OC)O4)O.CN1CCC23C4C(=O)CCC2(C1CC5=C3C(=C(C=C5)OC)O4)O.C1=CC(=CC=C1C(=O)O)C(=O)O.Cl |
| Isomeric SMILE | CC(=O)OC1=CC=CC=C1C(=O)O.CN1CC[C@]23[C@@H]4C(=O)CC[C@]2([C@H]1CC5=C3C(=C(C=C5)OC)O4)O.CN1CC[C@]23[C@@H]4C(=O)CC[C@]2([C@H]1CC5=C3C(=C(C=C5)OC)O4)O.CN1CC[C@]23[C@@H]4C(=O)CC[C@]2([C@H]1CC5=C3C(=C(C=C5)OC)O4)O.C1=CC(=CC=C1C(=O)O)C(=O)O.Cl |
| Drugpedia | wiki |
| References | 1. Source 2. Function 3. All Records |