UCSF

ZINC07952017

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Substance Information

In ZINC since Heavy atoms Benign functionality
June 26th, 2006 15 No

Popular Name: 8-(chloromethyl)-4H-1,3-benzodioxine-6-carboxylic acid 8-(chloromethyl)-4H-1,3-benzodio…

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CAS Number: 884325-48-8

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) 2.14 -0.29 -49.1 0 4 -1 59 227.623 2 ↓

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