UCSF

ZINC01708642

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2004 19 Yes

Popular Name: 1-(1-Benzyl-1H-indol-3-yl)ethanone 1-(1-Benzyl-1H-indol-3-yl)ethanone

Find On: PubMed — Wikipedia — Google

CAS Numbers: , 93315-38-9 , [93315-38-9]

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) 3.65 10.47 -14.52 0 2 0 22 249.313 3 ↓

Vendor Notes

Note Type Comments Provided By
Warnings IRRITANT Matrix Scientific
PUBCHEM_PATENT_ID WO2000076970A2; WO2000077027A2 IBM Patent Data

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