| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 11th, 2008 | 15 | Yes |
Popular Name: MFCD11132104 MFCD11132104
Find On: PubMed — Wikipedia — Google
CAS Numbers: 1019465-94-1 , N/A
2-(Butyl(methyl)amino)nicotinic acid
2-[Butyl(methyl)amino]nicotinic acid
| 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) | 2.10 | 6.34 | -55.83 | 1 | 4 | 0 | 58 | 208.261 | 5 | ↓ |
| Hi High (pH 8-9.5) | 2.10 | 5.9 | -51.53 | 0 | 4 | -1 | 56 | 207.253 | 5 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Warnings | IRRITANT | Matrix Scientific |
