| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 12th, 2008 | 10 | Yes |
Popular Name: 3-Hydroxy-4-methylbenzonitrile 3-Hydroxy-4-methylbenzonitrile
Find On: PubMed — Wikipedia — Google
CAS Numbers: 3816-66-8 , 3842-55-5 , [3816-66-8]
1,3,5-Triazine, 2-chloro-4,6-diphenyl-
2-chloro-4,6-diphenyl-1,3,5-triazine
3-Hydroxy-4-methyl benzonitrile
| 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) | 2.06 | 2.72 | -7.59 | 1 | 2 | 0 | 44 | 133.15 | 0 | ↓ |
| Hi High (pH 8-9.5) | 2.06 | 3.5 | -38.3 | 0 | 2 | -1 | 47 | 132.142 | 0 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 95% | Fluorochem |
| Purity | 95+% | Matrix Scientific |
| Purity | 97% | Fluorochem |
| Warnings | IRRITANT | Matrix Scientific |
No pre-computed analogs available. Try a structural similarity search.