UCSF

ZINC00042797

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2005 19 Yes

Popular Name: 1-(2,3-Dihydro-benzo[1,4]dioxin-6-yl)-2-phenyl-ethylamine 1-(2,3-Dihydro-benzo[1,4]dioxin-…

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CAS Numbers: 212714-08-4 , 212714-12-0

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) 0.74 -1.65 -48.51 3 3 1 46 256.325 3 ↓

Vendor Notes

Note Type Comments Provided By
Warnings IRRITANT Matrix Scientific

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