In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
January 27th, 2006 | 15 | No |
4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanone
4-(N-Nitrosomethylamino)-1-(3-pyridyl)-1-butanone
4-(N-Nitrosomethylamino)-1-(3-pyridyl)-1-butanone, 98+%
4-(N-Nitrosomethylamino)-1-(3-pyridyl)-1-butanone; 64091-91-4; C16453; NNK
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) | 0.59 | 3.76 | -13.22 | 0 | 5 | 0 | 63 | 207.233 | 6 | ↓ |
Note Type | Comments | Provided By |
---|---|---|
Melting_Point | 63-65? | Alfa-Aesar |
Melting_Point | 63-65° | Alfa-Aesar |
UniProt Database Links | CP2AD_HUMAN | ChEBI |
No pre-computed analogs available. Try a structural similarity search.