UCSF

ZINC00135859

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 19 Yes

Popular Name: 2-[(2,3-dihydro-1,4-benzodioxin-6-ylamino)methyl]phenol 2-[(2,3-dihydro-1,4-benzodioxin-…

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CAS Numbers: 329779-38-6 , [329779-38-6]

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) 2.64 3.42 -7.4 2 4 0 51 257.289 3 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 109 - 110 KeyOrganics

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