UCSF

ZINC00169185

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 14 No

Popular Name: 2-Chloro-3-oxo-N-phenylbutanamide 2-Chloro-3-oxo-N-phenylbutanamide

Find On: PubMed — Wikipedia — Google

CAS Numbers: 31844-92-5 , [31844-92-5]

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

Vendor Notes

Note Type Comments Provided By
MP 101 - 104 Enamine Building Blocks
MP 101...104 Enamine Building Blocks
melting_point 141 - 142 KeyOrganics
MP 141-142° Matrix Scientific
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity >95% 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.