UCSF

ZINC02566093

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2004 16 No

Popular Name: 2,5-DIMETHOXY-3-NITROBENZOIC ACID 2,5-DIMETHOXY-3-NITROBENZOIC ACID

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CAS Number: 17894-26-7

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 4.53 -45.85 0 7 -1 104 226.164 4 ↓

Vendor Notes

Note Type Comments Provided By
MP 183 TCI
M.P 183-187 °C Indofine
SOLUBILITY Soluble in DMF, ; excess of Chloroform:Methanol(1:1) Indofine

Activity (Go SEA)

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