UCSF

ZINC00042569

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 11 No

Popular Name: 2-Chloro-1-(2,5-dimethyl-3-thienyl)ethanone 2-Chloro-1-(2,5-dimethyl-3-thien…

Find On: PubMed — Wikipedia — Google

CAS Number: 31772-43-7

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) 2.10 0.86 -6.16 0 1 0 17 188.679 2 ↓

Vendor Notes

Note Type Comments Provided By
MP 53 - 57 Enamine Building Blocks
MP 54 - 56 Enamine Building Blocks
MP 54...56 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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