| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 6th, 2010 | 13 | Yes |
Popular Name: 4,5-Dichloro-2-methoxybenzoic acid 4,5-Dichloro-2-methoxybenzoic acid
Find On: PubMed — Wikipedia — Google
CAS Numbers: 201150-65-4 , 22775-37-7 , [22775-37-7]
| 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) | 3.20 | 6.08 | -46 | 0 | 3 | -1 | 49 | 220.031 | 2 | ↓ |
| Hi High (pH 8-9.5) | 0.66 | 4.45 | -62.02 | 6 | 8 | 1 | 129 | 381.46 | 5 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 148 - 150 | Enamine Building Blocks |
| MP | 148...150 | Enamine Building Blocks |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 95+% | Fluorochem |
No pre-computed analogs available. Try a structural similarity search.