| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 25th, 2008 | 14 | No |
Popular Name: methyl 2-{[(E)-phenylmethylidene]amino}propanoate methyl 2-{[(E)-phenylmethylidene…
Find On: PubMed — Wikipedia — Google
CAS Number: 120328-90-7
| 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) | 1.97 | 5.52 | -8.9 | 0 | 3 | 0 | 39 | 191.23 | 4 | ↓ |
| Mid Mid (pH 6-8) | 1.97 | 6.3 | -36.46 | 1 | 3 | 1 | 40 | 192.238 | 4 | ↓ |
| Mid Mid (pH 6-8) | 1.97 | 5.7 | -33.83 | 1 | 3 | 1 | 40 | 192.238 | 4 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| melting_point | 0 | KeyOrganics |
| PUBCHEM_PATENT_ID | US5616620; US5807875; WO1994017035A1 | IBM Patent Data |
