| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 2nd, 2008 | 11 | Yes |
Popular Name: 4-(Aminomethyl)-3-fluorobenzonitrile hydrochloride 4-(Aminomethyl)-3-fluorobenzonit…
Find On: PubMed — Wikipedia — Google
CAS Numbers: 1354963-08-8 , 701264-00-8 , [1354963-08-8] , [25676-75-9]
| 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) | 0.97 | 2.93 | -52.45 | 3 | 2 | 1 | 51 | 151.164 | 1 | ↓ |
| Mid Mid (pH 6-8) | 0.97 | 2.51 | -6.7 | 2 | 2 | 0 | 50 | 150.156 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 269 - 271 | Enamine Building Blocks |
| MP | 269...271 | Enamine Building Blocks |
| MP | 37 - 39 | Enamine Building Blocks |
| MP | 37...39 | Enamine Building Blocks |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
No pre-computed analogs available. Try a structural similarity search.