UCSF

ZINC02547600

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2004 14 No

Popular Name: 3-(2-Chloro-pyridin-3-yl)-acrylic acid ethyl ester 3-(2-Chloro-pyridin-3-yl)-acryli…

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CAS Numbers: 104830-08-2 , 148247-84-1 , [104830-08-2]

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) 2.45 1.6 -9.46 0 3 0 39 211.648 4 ↓

Vendor Notes

Note Type Comments Provided By
MP 57.6-59.0° Matrix Scientific
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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

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