UCSF

ZINC01295926

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2005 11 No

Popular Name: 5-Nitro-1H-pyrazole-3-carboxylic acid 5-Nitro-1H-pyrazole-3-carboxylic…

Find On: PubMed — Wikipedia — Google

CAS Numbers: 198348-89-9 , 925646-13-5 , N/A , [198348-89-9]

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) 0.21 2.27 -34.62 1 7 -1 115 156.077 2 ↓

Vendor Notes

Note Type Comments Provided By
MP 188-190° Oakwood Chemical
MP 79 - 81 Enamine Building Blocks
MP 79...81 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
Warnings IRRITANT Matrix Scientific
PUBCHEM_PATENT_ID US6139946; WO1998054702A1 IBM Patent Data

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