UCSF

ZINC20281177

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2008 12 Yes

Popular Name: 1,2,3,4-Tetrahydronaphthalene-1-carbonitrile 1,2,3,4-Tetrahydronaphthalene-1-…

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CAS Numbers: 56536-96-0 , 86-53-3 , [56536-96-0]

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) 2.47 7.08 -6.3 0 1 0 24 157.216 0 ↓

Vendor Notes

Note Type Comments Provided By
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem

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