UCSF

ZINC02576842

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2004 21 Yes

Popular Name: 6-Chloro-3(4'-Chlorophenyl)-4,7-Dimethylcoumarin 6-Chloro-3(4'-Chlorophenyl)-4,7-…

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Physical Representations

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) 5.82 3.14 -8.54 0 2 0 30 319.187 1 ↓

Vendor Notes

Note Type Comments Provided By
M.P 171-172 C Indofine
MP 171-172o C Indofine
APPEARANCE Pale yellow crystalline solid Indofine
SOLUBILITY Soluble in DMF, boiling Acetic acid Indofine

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Rings

Analogs ( Draw Identity 99% 90% 80% 70% )

No pre-computed analogs available. Try a structural similarity search.