In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 20th, 2004 | 14 | No |
Popular Name: 5-Nitroquinolin-6-ol 5-Nitroquinolin-6-ol
Find On: PubMed — Wikipedia — Google
CAS Numbers: 103028-63-3 , 130636-61-2 , [103028-63-3]
4- PIPERAZINE-1-CARBOXYLICACIDTERT-BUTYLESTER
4-(4-Nitrobenzyl)piperazine-1-carboxylic acid tert-butyl ester
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) | 1.89 | 2.93 | -9.94 | 1 | 5 | 0 | 79 | 190.158 | 1 | ↓ |
Lo Low (pH 4.5-6) | 1.89 | 3.16 | -45.2 | 2 | 5 | 1 | 80 | 191.166 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.