UCSF

ZINC04125501

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2005 14 Yes

Popular Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methylethanamine 1-(2,3-dihydro-1,4-benzodioxin-6…

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CAS Numbers: 381191-92-0 , 473801-85-3

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) 1.56 4.17 -41.69 2 3 1 35 194.254 2 ↓

Vendor Notes

Note Type Comments Provided By
Warnings IRRITANT Matrix Scientific

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