UCSF

ZINC00096850

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 15 No

Popular Name: 1-(3,4-DIMETHYLPHENYL)-1H-PYRROLE-2,5-DIONE 1-(3,4-DIMETHYLPHENYL)-1H-PYRROL…

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CAS Numbers: , 64059-57-0 , [64059-57-0]

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) 2.10 1.88 -9.96 0 3 0 39 201.225 1 ↓

Vendor Notes

Note Type Comments Provided By
Warnings IRRITANT Matrix Scientific
PUBCHEM_PATENT_ID US5314950 IBM Patent Data

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