UCSF

ZINC00054756

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 12 Yes

Popular Name: 5-cyanoisoquinoline 5-cyanoisoquinoline

Find On: PubMed — Wikipedia — Google

CAS Numbers: 27655-41-0 , [27655-41-0]

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) 1.76 5.25 -8.97 0 2 0 37 154.172 0 ↓

Vendor Notes

Note Type Comments Provided By
MP 126 - 128 Enamine Building Blocks
MP 126...128 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
Purity 95+% Matrix Scientific
Warnings IRRITANT Matrix Scientific

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