UCSF

ZINC00479915

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 28th, 2005 14 No

Popular Name: (2E)-3-(3-chloro-4-methoxyphenyl)acrylic acid (2E)-3-(3-chloro-4-methoxyphenyl…

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CAS Numbers: 58236-76-3 , 5871-09-0

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) 2.57 6.21 -48.99 0 3 -1 49 211.624 3 ↓

Vendor Notes

Note Type Comments Provided By
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks

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