UCSF

ZINC01069849

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 8th, 2004 13 Yes

Popular Name: 1-adamantylacetonitrile 1-adamantylacetonitrile

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CAS Numbers: 16269-13-9 , [16269-13-9]

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) 2.71 7.33 -6.45 0 1 0 24 175.275 1 ↓

Vendor Notes

Note Type Comments Provided By
Warnings IRRITANT Matrix Scientific

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