UCSF

ZINC01684989

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2004 13 Yes

Popular Name: Ethyl 2-Cyanobenzoate Ethyl 2-Cyanobenzoate

Find On: PubMed — Wikipedia — Google

CAS Numbers: 6525-45-7 , [6525-45-7]

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) 1.85 6.23 -12.35 0 3 0 50 175.187 3 ↓

Vendor Notes

Note Type Comments Provided By
MP 59 - 61 Enamine Building Blocks
MP 59...61 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 97% Fluorochem

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

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