Dataset

X-ray diffraction (XRD)

dataset for X-ray diffraction (XRD)\n\n

Chemical Info

molecular Image
InChI InChI=1S/C19H18F2N4O2.H2O/c1-19(2,3)16-13(22-9-23-16)8-15-18(27)24-14(17(26)25-15)7-10-11(20)5-4-6-12(10)21;/h4-9H,1-3H3,(H,22,23)(H,24,27)(H,25,26);1H2/b14-7-,15-8-;
SMILES Fc1cccc(c1/C=c/1\[nH]c(=O)/c(=C/c2nc[nH]c2C(C)(C)C)/[nH]c1=O)F.O
InChI Key JORKNWYVOQPNQP-QOOFZUOPSA-N
Molecular Formula C19H20F2N4O3
Exact Mass 390.384 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/JORKNWYVOQPNQP-QOOFZUOPSA-N/CHMO0000156
License URL
Source https://www.chemotion-repository.net/inchikey/JORKNWYVOQPNQP-QOOFZUOPSA-N/CHMO0000156
Version
Author Martin Nieger
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-07T07:46:01.549487
MetadataModified 2024-09-07T23:33:53.339477
MetadataPublished 2022-09-19
Field Value
Measurement Technique X-ray diffraction
Measurement Variables
Data-Source Molecule ID Data-Source
164889743 PubChem
The data in this table is sourced from UniChem at EBI.