UCSF

ZINC03887891

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2005 14 No

Popular Name: 4-(methylamino)-3-nitrobenzoic acid 4-(methylamino)-3-nitrobenzoic acid

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CAS Numbers: 41263-74-5 , [41263-74-5]

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) 1.59 3.77 -48.74 1 6 -1 98 195.154 3 ↓

Vendor Notes

Note Type Comments Provided By
MP 200 - 210 Enamine Building Blocks
MP 311 - 313 Enamine Building Blocks
MP 311...313 Enamine Building Blocks
MP 311°(dec.) Oakwood Chemical
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
Purity 95+% Matrix Scientific
Purity 98% Fluorochem
Warnings IRRITANT Matrix Scientific

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