| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 15th, 2008 | 31 | No |
Popular Name: 2-[2-hydroxy-3-(2,4-xylylcarbamoyl)-1-naphthylazo]phenol 2-[2-hydroxy-3-(2,4-xylylcarbamo…
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CAS Number: 523-67-1
2-Naphthalenecarboxamide,N-(2,4-dimethylphenyl)-3-hydroxy-4-[2-(2-hydroxyphenyl)diazenyl]-
| 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) | 6.95 | 8.74 | -19.3 | 3 | 6 | 0 | 94 | 411.461 | 4 | ↓ |
| Ref Reference (pH 7) | 6.95 | 7.37 | -17.48 | 3 | 6 | 0 | 94 | 411.461 | 4 | ↓ |
| Hi High (pH 8-9.5) | 5.28 | 8 | -61.57 | 2 | 6 | -1 | 97 | 410.453 | 4 | ↓ |
| Hi High (pH 8-9.5) | 5.28 | 7.89 | -65.17 | 2 | 6 | -1 | 97 | 410.453 | 4 | ↓ |
| Hi High (pH 8-9.5) | 6.95 | 9.63 | -78.56 | 2 | 6 | -1 | 97 | 410.453 | 4 | ↓ |
| Hi High (pH 8-9.5) | 6.95 | 8.34 | -58.55 | 2 | 6 | -1 | 97 | 410.453 | 4 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 247 | TCI |
