| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 27th, 2005 | 17 | No |
Popular Name: Phenindione Phenindione
1H-Indene-1,3(2H)-dione, 2-phenyl-
2-Fenyloindandion-1,3 [Polish]
2-Phenyl-1,3-indandione; 83-12-5; C07584; Phenindione
2-Phenyl-1H-indene-1,3(2H)-dione
2-phenyl-2,3-dihydro-1H-indene-1,3-dione
83-12-5; D08354; Hedulin (TN); Phenindione (INN)
83-12-5; Phenindione; Prestwick_872
fenindiona; phenindione; phenindionum
Goldshield Brand of Phenindione
InChI=1/C15H10O2/c16-14-11-8-4-5-9-12(11)15(17)13(14)10-6-2-1-3-7-10/h1-9,13
| Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
|---|---|---|---|---|---|---|---|---|---|---|
| Ref Reference (pH 7) | 3.54 | 8.11 | -45.25 | 0 | 2 | -1 | 40 | 221.235 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 148 | TCI |
| MP | 148 - 150 | Enamine Building Blocks |
| MP | 148...150 | Enamine Building Blocks |
| ALOGPS_SOLUBILITY | 2.30e-02 g/l | DrugBank-approved |
| UniProt Database Links | 7LESS_DROME; A4_CAVPO; A4_HUMAN; A4_MACFA; A4_MOUSE; A4_PANTR; A4_PIG; A4_RAT; A4_SAISC; ANS1A_HUMAN; ANS1A_MOUSE; ANS1B_DANRE; ANS1B_HUMAN; ANS1B_MOUSE; ANS1B_RAT; APBA1_HUMAN; APBA1_MOUSE; APBA1_RAT; APBA2_HUMAN; APBA2_MOUSE; APBA2_PONAB; APBA2_RAT; APB | ChEBI |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Therapy | anticoagulant | SMDC Iconix |
| Patent Database Links | EP0915088; GB2368843; US2006122124; US2006223745; US2007219221; WO2005005551; WO2005005570; WO2005021525; WO2005030705; WO2005058269; WO2005092899; WO2007134964 | ChEBI |
| Target | Others | Selleck Chemicals |
| Target | Vitamin | Selleck Chemicals |
