UCSF

ZINC00480089

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2005 15 Yes

Popular Name: 6-chloro-4-oxo-4H-chromene-2-carboxylic acid 6-chloro-4-oxo-4H-chromene-2-car…

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CAS Numbers: 5006-45-1 , [5006-45-1]

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) 2.28 6.33 -40.93 0 4 -1 70 223.591 1 ↓

Vendor Notes

Note Type Comments Provided By
MP 254-256° Oakwood Chemical
Warnings IRRITANT Matrix Scientific

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