UCSF

ZINC00991354

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 6th, 2004 18 Yes

Popular Name: 4-(4-tert-Butylphenoxy)aniline 4-(4-tert-Butylphenoxy)aniline

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CAS Numbers: 10254-86-1 , 145157-87-5 , 56705-89-6 , [10254-86-1] , [56705-89-6]

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) 4.47 7.53 -4.52 2 2 0 35 241.334 3 ↓

Vendor Notes

Note Type Comments Provided By
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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