UCSF

ZINC36379622

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 28th, 2009 14 Yes

Popular Name: 2-(2,6-dichlorophenyl)-3-oxobutanenitrile 2-(2,6-dichlorophenyl)-3-oxobuta…

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CAS Number: 186196-04-3

Other Names:

MFCD11208554

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) 2.50 6.71 -8.24 0 2 0 41 228.078 2 ↓

Vendor Notes

Note Type Comments Provided By
MP 49 - 51 Enamine Building Blocks
MP 49...51 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks

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