UCSF

ZINC06636246

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Substance Information

In ZINC since Heavy atoms Benign functionality
April 11th, 2006 13 Yes

Popular Name: 4-bromo-2-propoxybenzonitrile 4-bromo-2-propoxybenzonitrile

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CAS Numbers: , 588682-07-9

Other Names:

MFCD03944296

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) 3.37 1.97 -5.72 0 2 0 33 240.1 3 ↓

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