| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 6th, 2009 | 14 | Yes |
Popular Name: Benzoic acid, 3-methyl-4-[(1-methylethyl)amino]- (9CI) Benzoic acid, 3-methyl-4-[(1-met…
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CAS Number: 518335-91-6
| 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) | 3.42 | 6.12 | -52.54 | 1 | 3 | -1 | 52 | 192.238 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 3.42 | 4.14 | -6.63 | 2 | 3 | 0 | 49 | 193.246 | 3 | ↓ |
