UCSF

ZINC01704115

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2004 11 Yes

Popular Name: 2-isopropylanisole 2-isopropylanisole

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CAS Number: 2944-47-0

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) 2.99 2.14 -3.32 0 1 0 9 150.221 2 ↓

Vendor Notes

Note Type Comments Provided By
Boiling_Point 198-200? Alfa-Aesar
Boiling_Point 198-200° Alfa-Aesar

Activity (Go SEA)

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