| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 21st, 2008 | 14 | Yes |
Popular Name: 2-(3-methoxyphenyl)cyclopropane-1-carboxylic acid 2-(3-methoxyphenyl)cyclopropane-…
Find On: PubMed — Wikipedia — Google
CAS Number: 900254-25-3
| 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) | 1.80 | 5.31 | -48.39 | 0 | 3 | -1 | 49 | 191.206 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 1.80 | 4.17 | -9.42 | 1 | 3 | 0 | 47 | 192.214 | 3 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| purity | 9.500000000000000e+001 | Enamine Building Blocks |
| MP | 90 - 92 | Enamine Building Blocks |
| MP | 90...92 | Enamine Building Blocks |
| purity | 95 | Enamine Building Blocks |
| PUBCHEM_PATENT_ID | EP0736018A1; EP0736018B1; US6025375 | IBM Patent Data |
