Dataset

mass spectrometry (MS)

Chemical Info

InChI	InChI=1S/C15H13NOS/c1-2-17-12-9-7-11(8-10-12)15-16-13-5-3-4-6-14(13)18-15/h3-10H,2H2,1H3
SMILES	CCOc1ccc(cc1)c1nc2c(s1)cccc2
InChI Key	NAUXHTYTQIQZJI-UHFFFAOYSA-N
Molecular Formula	C15H13NOS
Exact Mass	255.335 g/mol

Data and Resources

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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/NAUXHTYTQIQZJI-UHFFFAOYSA-N/CHMO0000470
License URL
Source	https://www.chemotion-repository.net/inchikey/NAUXHTYTQIQZJI-UHFFFAOYSA-N/CHMO0000470
Version
Author	Simone Gräßle
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T02:34:14.088679
MetadataModified	2024-09-07T17:09:05.016898
MetadataPublished	2020-02-28

Field	Value
Measurement Technique	mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
MCULE-7817611518	Mcule
3969908	PubChem
SCHEMBL13198328	SureChEMBL
16157001	PubChem: Thomson Pharma
5418771	eMolecules
CHEMBL1808313	ChEMBL
J1.834.637K	Nikkaji
ZINC000001508065	ZINC
DTXSID30398301	EPA CompTox Dashboard
The data in this table is sourced from UniChem at EBI.