| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 15th, 2008 | 18 | No |
Popular Name: (3E)-3-[(4-Methylphenyl)imino]-1,3-dihydro-2H-indol-2-one (3E)-3-[(4-Methylphenyl)imino]-1…
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CAS Numbers: , 1809720-66-8 , 42407-86-3
2H-indol-2-one, 1,3-dihydro-3-[(4-methylphenyl)imino]-, (3E)-
3-[(4-methylphenyl)imino]-1,3-dihydro-2H-indol-2-one
| 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) | 3.69 | 5.52 | -10.63 | 1 | 3 | 0 | 45 | 236.274 | 1 | ↓ |
| Ref Reference (pH 7) | 3.69 | 5.8 | -9.32 | 1 | 3 | 0 | 45 | 236.274 | 1 | ↓ |
| Ref Reference (pH 7) | 3.95 | 6.17 | -26.83 | 2 | 3 | 1 | 43 | 237.282 | 2 | ↓ |
| Hi High (pH 8-9.5) | 4.14 | 3.52 | -51.69 | 0 | 3 | -1 | 48 | 235.266 | 1 | ↓ |
| Hi High (pH 8-9.5) | 4.14 | 4.03 | -47.98 | 0 | 3 | -1 | 48 | 235.266 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Warnings | IRRITANT | Matrix Scientific |
