UCSF

ZINC00058011

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 16 Yes

Popular Name: 3-Cyano-7-Ethoxycoumarin 3-Cyano-7-Ethoxycoumarin

Find On: PubMed — Wikipedia — Google

CAS Numbers: 117620-77-6 , [117620-77-6]

Download: MOL2 SDF SMILES Flexibase

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) 2.11 6.49 -15.25 0 4 0 63 215.208 2 ↓

Vendor Notes

Note Type Comments Provided By
M.P 210-212 C Indofine
MP 210-212o C Indofine
APPEARANCE Deep pink fluffy powder Indofine
SOLUBILITY Soluble in DMF, excess of Chloroform Indofine

Activity (Go SEA)

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