| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 8th, 2008 | 25 | Yes |
Popular Name: MFCD10687666 MFCD10687666
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CAS Number: 1040690-43-4
benzenemethanamine, a-methyl-N-[[2-(2-phenylethoxy)phenyl]methyl]-
| 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) | 5.27 | 13.17 | -38.74 | 2 | 2 | 1 | 26 | 332.467 | 8 | ↓ |
| Hi High (pH 8-9.5) | 5.27 | 11.82 | -4.24 | 1 | 2 | 0 | 21 | 331.459 | 8 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Warnings | IRRITANT | Matrix Scientific |
