UCSF

ZINC04905453

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Substance Information

In ZINC since Heavy atoms Benign functionality
January 11th, 2006 17 No

Popular Name: 2-Morpholino-5-nitrobenzonitrile 2-Morpholino-5-nitrobenzonitrile

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CAS Numbers: , 78252-11-6 , [78252-11-6]

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) 1.53 4.35 -9.35 0 6 0 82 233.227 2 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 128 - 130 KeyOrganics
Purity 95% Fluorochem
Warnings IRRITANT Matrix Scientific

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