Chemical compound data from PubChem database. IUPAC Name: methyl 2-hydroxy-2,2-bis(2-nitrophenyl)acetate. Molecular Formula: C15H12N2O7. Molecular Weight: 332.26....

data.gov30

4-Bromo-5-nitro-1H-isoindole-1,3(2H)-dione

化学信息学

物质结构分析

This is a physical chemical entity[CHEBI_24431] associated with a molecule[CHEBI_25367]. The molecule[CHEBI_25367] can be described by the following structural desciptors[cheminf_000085]: InChI desc

DataCite Commons2025-03-07 更新50

all ECFP4 of ChEMBL25 and ZINC20 as JSON dicts

化学信息学

分子指纹

2 JSON dicts that list the connectivity features (key) ECFP4 (including the ECFP2) as detected by the GetMorganFingerprint function of the RDkit program. One files encompass all the 556,187 ECFP4 of t

DataCite Commons2025-06-01 更新40

Computed CDK Graph only fingerprint of our dataset.

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