UCSF

ZINC03888772

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2005 19 No

Popular Name: 4-Anilino-3-nitrobenzoic acid 4-Anilino-3-nitrobenzoic acid

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CAS Numbers: 16927-49-4 , [16927-49-4]

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) 3.73 0.83 -46.74 1 6 -1 97 257.225 4 ↓

Vendor Notes

Note Type Comments Provided By
MP 250 - 252 Enamine Building Blocks
MP 250...252 Enamine Building Blocks
MP 259 - 261 Enamine Building Blocks
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% )