UCSF

ZINC00227008

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2005 18 Yes

Popular Name: 3-(Morpholinosulfonyl)benzoic acid 3-(Morpholinosulfonyl)benzoic acid

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CAS Numbers: 299181-75-2 , [299181-75-2]

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) 0.98 2.6 -52.21 0 6 -1 87 270.286 3 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 1.950000000000000e+002 KeyOrganics KeyOrganics
MP 195° Matrix Scientific
MP 198 - 200 Enamine Building Blocks
MP 198...200 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
Purity >95% Matrix Scientific
Warnings IRRITANT Matrix Scientific

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