In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 10th, 2004 | 18 | Yes |
Popular Name: KO-1366 KO-1366
Find On: PubMed — Wikipedia — Google
CAS Numbers: 23093-74-5 , 29876-08-2 , 34915-68-9
2-(3-(tert-Butylamino)-2-hydroxypropoxy)benzonitrile
29876-08-2; Betrilol (TN); Bunitrolol hydrochloride (JAN); D01444
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) | 2.03 | -0.62 | -44.8 | 3 | 4 | 1 | 69 | 249.334 | 6 | ↓ |