UCSF

ZINC01746599

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2004 14 No

Popular Name: 1-(3-NITRO-PHENYL)-BUTAN-1-ONE 1-(3-NITRO-PHENYL)-BUTAN-1-ONE

Find On: PubMed — Wikipedia — Google

CAS Numbers: 50766-86-4 , 7404-78-6

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) 2.83 2.38 -13.63 0 4 0 62 193.202 4 ↓

Vendor Notes

Note Type Comments Provided By
MP 59 - 63 Enamine Building Blocks
MP 60 - 62 Enamine Building Blocks
MP 60...62 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks

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