UCSF

ZINC19810457

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2008 11 Yes

Popular Name: 5-METHYL-1-INDANONE 5-METHYL-1-INDANONE

Find On: PubMed — Wikipedia — Google

CAS Numbers: 4593-38-8 , [4593-38-8]

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) 2.15 6.14 -7.21 0 1 0 17 146.189 0 ↓

Vendor Notes

Note Type Comments Provided By
MP 69 - 73 Enamine Building Blocks
MP 69...73 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 97% Fluorochem

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