Input interpretation
aspirin | thiocitrulline
Chemical names and formulas
| aspirin | thiocitrulline formula | (CH_3CO_2)C_6H_4CO_2H | Hill formula | C_9H_8O_4 | name | aspirin | thiocitrulline IUPAC name | 2-acetyloxybenzoic acid | alternate names | 2-(acetyloxy)benzoic acid | acenterine | acetosal | benzoic acid, 2-(acetyloxy)- | (none) mass fractions | C (carbon) 60% | H (hydrogen) 4.48% | O (oxygen) 35.5% | C (carbon) 37.7% | H (hydrogen) 6.85% | N (nitrogen) 22% | O (oxygen) 16.7% | S (sulfur) 16.8%
Structure diagrams
| aspirin | thiocitrulline vertex count | 13 | 12 edge count | 14 | 17 Schultz index | 981 | 904 Wiener index | 246 | 247 Hosoya index | 335 | 159 Balaban index | 2.462 | 3.196
3D structure
3D structure
Basic properties
| aspirin | thiocitrulline molar mass | 180.16 g/mol | 191.25 g/mol phase | solid (at STP) | melting point | 140 °C | boiling point | 140 °C | density | 1.39 g/cm^3 |
Units
Hydrophobicity and permeability properties
| aspirin experimental LogP hydrophobicity | 1.4 predicted LogP hydrophobicity | 1.43 predicted LogS | -2.09 experimental Caco-2 permeability | -5.06
Drug interactions
aspirin | acenocoumarol | acetazolamide | acetohexamide | anisindione | betamethasone | chlorpropamide | cortisone acetate | dexamethasone | dichlorphenamide | dicumarol | fludrocortisone | ginkgo biloba | glyburide | gliclazide | glipizide | glisoxepide | glycodiazine | griseofulvin | heparin | hydrocortisone | ... (total: 42)