| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 5th, 2010 | 14 | Yes |
Popular Name: 2-Butenoic acid, 2-methyl-3-(4-methylphenyl)-, (E)- (9CI) 2-Butenoic acid, 2-methyl-3-(4-m…
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CAS Number: 61712-17-2
| 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) | 2.79 | 8.16 | -47.47 | 0 | 2 | -1 | 40 | 189.234 | 2 | ↓ |
| Lo Low (pH 4.5-6) | 2.79 | 6.17 | -4.81 | 1 | 2 | 0 | 37 | 190.242 | 2 | ↓ |
