UCSF

ZINC00153692

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 14 No

Popular Name: N-1,3-benzodioxol-5-yl-2-chloroacetamide N-1,3-benzodioxol-5-yl-2-chloroa…

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CAS Numbers: 227199-07-7 , 392239-42-8 , [227199-07-7]

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) 1.61 2.68 -11.45 1 4 0 48 213.62 2 ↓

Vendor Notes

Note Type Comments Provided By
MP 107° Matrix Scientific
melting_point 162 - 163 KeyOrganics
Warnings IRRITANT Matrix Scientific

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