| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 8th, 2008 | 22 | Yes |
Popular Name: 3-Chloro-4-fluoro-N-[2-(isopentyloxy)benzyl]-aniline 3-Chloro-4-fluoro-N-[2-(isopenty…
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CAS Number: 1040685-54-8
benzenemethanamine, N-(3-chloro-4-fluorophenyl)-2-(3-methylbutoxy)-
| 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) | 5.63 | 10.03 | -4.71 | 1 | 2 | 0 | 21 | 321.823 | 7 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Warnings | IRRITANT | Matrix Scientific |
