| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 23rd, 2010 | 12 | Yes |
Popular Name: 3-(aminomethyl)-4-fluorobenzoic acid 3-(aminomethyl)-4-fluorobenzoic …
Find On: PubMed — Wikipedia — Google
CAS Numbers: 1461707-64-1 , 771573-08-1
| 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) | 1.12 | 3.13 | -66.5 | 3 | 3 | 0 | 68 | 169.155 | 2 | ↓ |
| Hi High (pH 8-9.5) | 1.12 | 2.7 | -43.19 | 2 | 3 | -1 | 66 | 168.147 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 285 - 287 | Enamine Building Blocks |
| MP | 285...287 | Enamine Building Blocks |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
