UCSF

ZINC01593654

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2004 12 Yes

Popular Name: 7-CHLOROISATIN 7-CHLOROISATIN

Find On: PubMed — Wikipedia — Google

CAS Numbers: 7477-63-6 , [7477-63-6]

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

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) 1.46 2.48 -7.99 1 3 0 50 181.578 0 ↓

Vendor Notes

Note Type Comments Provided By
MP 171 - 173 Enamine Building Blocks
MP 171...173 Enamine Building Blocks
MP 184-186° Oakwood Chemical
Melting_Point 187-191? Alfa-Aesar
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 97% Fluorochem
Warnings IRRITANT Matrix Scientific

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

No pre-computed analogs available. Try a structural similarity search.