| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 29th, 2005 | 29 | No |
Popular Name: Rubitecan Rubitecan
Find On: PubMed — Wikipedia — Google
CAS Numbers: 104195-61-1 , 86639-62-5 , 91421-42-0 , [86639-62-5] , [91421-42-0]
(S)-4-Ethyl-4-hydroxy-10-nitro-1H-pyrano[3',4':6,7]-indolizino[1,2-b]quinoline-3,14(4H,12H)-dione
(S)-4-Ethyl-4-hydroxy-10-nitro-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinoline-3,14(4H,12H)-dione
(S)-4-Ethyl-4-hydroxy-9-nitro-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinoline-3,14(4H,12H)-dione
| 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) | 2.24 | 7.35 | -14.28 | 1 | 9 | 0 | 127 | 393.355 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 268 | TCI |
| Purity | 95% | Fluorochem |
