UCSF

ZINC02584468

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2004 13 Yes

Popular Name: 4-n-Butoxybenzonitrile 4-n-Butoxybenzonitrile

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CAS Number: 5203-14-5

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) 3.19 2.82 -5.05 0 2 0 33 175.231 4 ↓

Vendor Notes

Note Type Comments Provided By
Boiling_Point 242-244? Alfa-Aesar
Boiling_Point 242-244° Alfa-Aesar

Activity (Go SEA)

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