In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 13th, 2006 | 13 | Yes |
Popular Name: 7-Chloro-3,4-dihydro-2H-benzo[b]oxepin-5-one 7-Chloro-3,4-dihydro-2H-benzo[b]…
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CAS Numbers: 55579-90-3 , [55579-90-3]
7-chloro-2,3,4,5-tetrahydro-1-benzoxepin-5-one
7-Chloro-3,4-dihydro-2H-benzo[b]oxepin-5-one-D2
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) | 2.53 | 0.47 | -7.19 | 0 | 2 | 0 | 26 | 196.633 | 0 | ↓ |
Note Type | Comments | Provided By |
---|---|---|
purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
Purity | 95% | Fluorochem |