| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 23rd, 2004 | 15 | Yes |
Popular Name: 1-(3-ACETYL-2,4,6-TRIHYDROXYPHENYL)ETHAN-1-ONE 1-(3-ACETYL-2,4,6-TRIHYDROXYPHEN…
Find On: PubMed — Wikipedia — Google
CAS Number: 2161-86-6
| 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) | 1.28 | -0.04 | -52.57 | 2 | 5 | -1 | 98 | 209.177 | 2 | ↓ |
| Mid Mid (pH 6-8) | 1.28 | -1.04 | -14.06 | 3 | 5 | 0 | 95 | 210.185 | 2 | ↓ |
| Mid Mid (pH 6-8) | 1.28 | -1.92 | -43.49 | 2 | 5 | -1 | 98 | 209.177 | 2 | ↓ |
| Mid Mid (pH 6-8) | 1.28 | -1.13 | -113.53 | 1 | 5 | -2 | 100 | 208.169 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| H phrase | H315: Causes skin irritation; H319: Causes serious eye irritation; H335: May cause respiratory irritation | Acros Organics |
| P phrase | P280: Wear protective gloves/protective clothing/eye protection/face protection; P302 + P352: IF ON SKIN: Wash with plenty of soap and water; P304 + P340: IF INHALED: Remove to fresh air and keep at rest in a position comfortable for breathing; P305 + P35 | Acros Organics |
| R phrase | R36/37/38: Irritating to eyes, respiratory system and skin. | Acros Organics |
| Hazard | XI: Irritant | Acros Organics |
