UCSF

ZINC03133857

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 6th, 2004 14 Yes

Popular Name: (5-Phenyl-1,3,4-oxadiazol-2-yl)acetonitrile (5-Phenyl-1,3,4-oxadiazol-2-yl)a…

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CAS Number: 7256-51-1

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) 1.33 1.64 -13.27 0 4 0 63 185.186 2 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 123 - 125 KeyOrganics
PUBCHEM_PATENT_ID US4268668 IBM Patent Data

Activity (Go SEA)

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