| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 13th, 2009 | 14 | Yes |
Popular Name: N-(2-Chloro-4-fluorobenzyl)propane-1,3-diamine N-(2-Chloro-4-fluorobenzyl)propa…
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CAS Numbers: , 1119452-96-8
| 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) | 1.34 | 2.44 | -44.87 | 4 | 2 | 1 | 40 | 217.695 | 5 | ↓ |
| Hi High (pH 8-9.5) | 1.34 | 3.52 | -41.1 | 4 | 2 | 1 | 43 | 217.695 | 5 | ↓ |
| Mid Mid (pH 6-8) | 1.34 | 3.89 | -111.7 | 5 | 2 | 2 | 44 | 218.703 | 5 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Warnings | IRRITANT | Matrix Scientific |
