In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 23rd, 2011 | 22 | No |
Popular Name: tert-Butyl 5-(3-methoxy-3-oxoprop-1-en-1-yl)-1H-indole-1-carboxylate tert-Butyl 5-(3-methoxy-3-oxopro…
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CAS Numbers: 561307-71-9 , [561307-71-9]
1-Boc-5-(3-methoxy-3-oxo-1-propenyl)-1H-indole
1H-Indole-1-carboxylic acid, 5-(3-methoxy-3-oxo-1-propenyl)-, 1,1-dimethylethyl ester
tert-Butyl5-(3-methoxy-3-oxoprop-1-en-1-yl)-1H-indole-1-carboxylate
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) | 3.83 | 9.81 | -9.86 | 0 | 5 | 0 | 58 | 301.342 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.