UCSF

ZINC00124429

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 16 Yes

Popular Name: 6-(4-chlorophenoxy)nicotinonitrile 6-(4-chlorophenoxy)nicotinonitrile

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CAS Number: 99902-70-2

Other Names:

MFCD00221203

SS-6981

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) 3.23 1.39 -6.37 0 3 0 45 230.654 2 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 137 - 139 KeyOrganics

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