UCSF

ZINC16159246

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 23rd, 2008 11 Yes

Popular Name: 2-Amino-1-(3-fluorophenyl)ethanone hydrochloride 2-Amino-1-(3-fluorophenyl)ethano…

Find On: PubMed — Wikipedia — Google

CAS Numbers: 792144-46-8 , 93102-97-7 , [93102-97-7]

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) 0.40 2.09 -6.07 2 2 0 43 153.156 2 ↓

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0138491A2; EP0195396A1; EP0264467A1; EP0264467B1; EP0325247A1; EP0325247B1; EP0754179A1; US3987047; US4555571; US4614746; US4622065; US4656267; US4696695; US5061800; US5861358 IBM Patent Data

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