In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 6th, 2008 | 16 | No |
Popular Name: 3-[(2E)-3-(Dimethylamino)prop-2-enoyl]-6-methyl-2H-pyran-2,4(3H)-dione 3-[(2E)-3-(Dimethylamino)prop-2-…
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CAS Numbers: , 181757-28-8
2H-pyran-2,4(3H)-dione, 3-[(2E)-3-(dimethylamino)-1-oxo-2-propenyl]-6-methyl-
3-[(E)-3-(dimethylamino)-2-propenoyl]-6-methyl-2H-pyran-2,4(3H)-dione
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) | 0.15 | 5.53 | -12.09 | 0 | 5 | 0 | 64 | 223.228 | 3 | ↓ |
Mid Mid (pH 6-8) | 0.50 | 5.6 | -50.73 | 0 | 5 | -1 | 74 | 222.22 | 3 | ↓ |
Note Type | Comments | Provided By |
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Warnings | IRRITANT | Matrix Scientific |
No pre-computed analogs available. Try a structural similarity search.