UCSF

ZINC34368320

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 24th, 2009 10 Yes

Popular Name: 5-chloroisoindoline 5-chloroisoindoline

Find On: PubMed — Wikipedia — Google

CAS Numbers: 127168-76-7 , 701300-67-6 , 912999-79-2 , [701300-67-6] , [912999-79-2]

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) 1.74 4.32 -44.43 2 1 1 17 154.62 0 ↓
Hi High (pH 8-9.5) 1.74 2.84 -2.82 1 1 0 12 153.612 0 ↓

Vendor Notes

Note Type Comments Provided By
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
PUBCHEM_PATENT_ID EP0220917A1; EP0220917B1; EP0280239A1; US4824855 IBM Patent Data

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