- Molecular NameCoumarin
- SynonymNA
- Weight146.145
- Drugbank_IDN/A
- ACS_NO91-64-5
- Show 3D model
- LogP (experiment)1.39
- LogP (predicted, AB/LogP v2.0)1.61
- pkaN/A
- LogD (pH=7, predicted)1.61
- Solubility (experiment)2.5 mg/ml
- LogS (predicted, ACD/Labs)(ph=7)-1.49
- LogSw (predicted, AB/LogsW2.0)2.61
- Sw (mg/ml) (predicted, ACD/Labs)4.74
- No.of HBond Donors0
- No.of HBond Acceptors2
- No.of Rotatable Bonds0
- TPSA26.3
- StatusN/A
- AdministrationN/A
- PharmacologyA chemical compound (specifically, a benzopyrone) found in many plants, notably in high concentration in the tonka bean (Dipteryx odorata), vanilla grass (Anthoxanthum odoratum), woodruff (Galium odoratum), mullein (Verbascum spp.), and sweet grass (Hierochloe odorata). It has a sweet scent, readily recognised as the scent of newly-mown hay, and has been used in perfumes since 1882. It has clinical medical value as the precursor for several anticoagulants, notably warfarin, and is used as a gain medium in some dye lasers.
- Absorption_value100.0
- Absorption (description)N/A
- Caco_2-4.11
- Bioavailability3.0
- Protein bindingN/A
- Volume of distribution (VD)N/A
- Blood/Plasma Partitioning ratio (D_blood)N/A
- MetabollsmN/A
- Half lifeN/A
- ExcretionN/A
- Urinary ExcretionN/A
- CleranceN/A
- ToxicityN/A
- LD50 (rat)N/A
- LD50 (mouse)N/A