| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 19th, 2008 | 17 | No |
Popular Name: (3E)-3-(Phenylimino)-1,3-dihydro-2H-indol-2-one (3E)-3-(Phenylimino)-1,3-dihydro…
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CAS Numbers: , 101671-27-6 , 33828-98-7
2H-indol-2-one, 1,3-dihydro-3-(phenylimino)-
2H-indol-2-one, 1,3-dihydro-3-(phenylimino)-, (3E)-
| 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) | 3.24 | 4.85 | -10.88 | 1 | 3 | 0 | 45 | 222.247 | 1 | ↓ |
| Ref Reference (pH 7) | 3.24 | 5.14 | -9.27 | 1 | 3 | 0 | 45 | 222.247 | 1 | ↓ |
| Hi High (pH 8-9.5) | 3.70 | 3.38 | -47.24 | 0 | 3 | -1 | 48 | 221.239 | 1 | ↓ |
| Hi High (pH 8-9.5) | 3.70 | 2.86 | -51.91 | 0 | 3 | -1 | 48 | 221.239 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Warnings | IRRITANT | Matrix Scientific |
