| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 6th, 2009 | 17 | No |
Popular Name: 4-(3-Nitro-phenyl)-3-oxo-butyric acid methyl ester 4-(3-Nitro-phenyl)-3-oxo-butyric…
Find On: PubMed — Wikipedia — Google
CAS Number: 1032507-14-4
| 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) | 1.04 | 8.29 | -20.99 | 0 | 6 | 0 | 89 | 237.211 | 6 | ↓ |
| Mid Mid (pH 6-8) | 0.59 | 7.11 | -40.92 | 0 | 6 | -1 | 95 | 236.203 | 4 | ↓ |
| Mid Mid (pH 6-8) | 0.59 | 7.05 | -53.72 | 0 | 6 | -1 | 95 | 236.203 | 4 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | EP0126094A1; US4727066 | IBM Patent Data |
