UCSF

ZINC21990029

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Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2008 12 No

Popular Name: 3-Methyl-indole-1-carbaldehyde 3-Methyl-indole-1-carbaldehyde

Find On: PubMed — Wikipedia — Google

CAS Number: 31951-33-4

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) 2.41 6.19 -11.07 0 2 0 22 159.188 0 ↓

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0457195B1; EP0460679A3; EP0460679B1; EP0552489B1; EP0555537A3; EP0626174A2; EP0626174A3; EP1010705A1; US4199512; US5284828; US5430022; US5444152; US5470833; US5496928; US5614497; US5614498; US5656604; US5691315; US5859190; US6147051; WO1998033776A1; WO1 IBM Patent Data

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