| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 20th, 2008 | 18 | Yes |
Popular Name: MFCD04238113 MFCD04238113
Find On: PubMed — Wikipedia — Google
CAS Number: 100096-38-6
| 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) | 3.13 | 9.07 | -104.01 | 3 | 2 | 2 | 21 | 248.414 | 4 | ↓ |
| Mid Mid (pH 6-8) | 3.13 | 6.78 | -40.3 | 2 | 2 | 1 | 20 | 247.406 | 4 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| BP | 149-151°/2 Torr | Matrix Scientific |
| Warnings | IRRITANT | Matrix Scientific |
