UCSF

ZINC03888952

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2005 18 No

Popular Name: 5-(Morpholin-4-yl)-2-nitrobenzoic acid 5-(Morpholin-4-yl)-2-nitrobenzoi…

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CAS Numbers: 153437-51-5 , [153437-51-5]

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) 1.86 -1.96 -60.2 0 7 -1 98 251.218 3 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 1.970000000000000e+002 - 1.990000000000000e+002 KeyOrganics
MP 188 - 192 Enamine Building Blocks
MP 189 - 191 Enamine Building Blocks
MP 189-191° Oakwood Chemical
MP 189...191 Enamine Building Blocks
melting_point 197 - 199 KeyOrganics
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Warnings IRRITANT Matrix Scientific

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