UCSF

ZINC03290394

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 7th, 2004 12 No

Popular Name: 2-Chloro-1-(1,2,5-trimethyl-1H-pyrrol-3-yl)-ethanone 2-Chloro-1-(1,2,5-trimethyl-1H-p…

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CAS Numbers: 565195-14-4 , [565195-14-4]

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) 1.42 6.28 -8.01 0 2 0 22 185.654 2 ↓

Vendor Notes

Note Type Comments Provided By
MP 80 - 84 Enamine Building Blocks
MP 81 - 83 Enamine Building Blocks
MP 81...83 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Warnings IRRITANT Matrix Scientific

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