| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 10th, 2010 | 27 | Yes |
Popular Name: 4-{3-chloro-5-[(4-cyanophenyl)amino]phenoxy}-3,5-dimethylbenzonitrile 4-{3-chloro-5-[(4-cyanophenyl)am…
Find On: PubMed — Wikipedia — Google
CAS Number: 1242268-27-4
| 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) | 6.55 | 12.3 | -9.76 | 1 | 4 | 0 | 69 | 373.843 | 4 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| melting_point | 2.780000000000000e+002 - 2.800000000000000e+002 | KeyOrganics |
| melting_point | 278 - 280 | KeyOrganics |
| MP | 278-280° | Matrix Scientific |
| Purity | >95% | Matrix Scientific |
| Warnings | IRRITANT | Matrix Scientific |
No pre-computed analogs available. Try a structural similarity search.
