UCSF

ZINC01559672

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2004 15 Yes

Popular Name: 3-(2-bromo-4,5-dimethoxyphenyl)propanenitrile 3-(2-bromo-4,5-dimethoxyphenyl)p…

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CAS Numbers: 35249-62-8 , [35249-62-8]

Other Names:

MFCD00100650

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) 2.21 2.52 -9.17 0 3 0 42 270.126 4 ↓

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