| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 12th, 2008 | 25 | No |
Popular Name: (E)-4-{3-[(Ethylanilino)carbonyl]anilino}-4-oxo-2-butenoic acid (E)-4-{3-[(Ethylanilino)carbonyl…
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CAS Numbers: , 940506-00-3 , [940506-00-3]
(e)-4-{3-[(ethylanilino)carbonyl]anilino}-4-oxo-2-butenoicacid
2-butenoic acid, 4-[[3-[(ethylphenylamino)carbonyl]phenyl]amino]-4-oxo-
4-[(3-{[ethyl(phenyl)amino]carbonyl}phenyl)amino]-4-oxo-2-butenoic acid
| 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) | 2.37 | 0.05 | -63.34 | 1 | 6 | -1 | 90 | 337.355 | 6 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Warnings | IRRITANT | Matrix Scientific |
