Jump to main content
Jump to site nav
Home
About us
Membership & professional community
Campaigning & outreach
Journals, books & databases
Teaching & learning
News & events
Locations & contacts
Home
About us
Web APIs
Help
Sign in
ChemSpider
Search and share chemistry
Simple
Structure
Advanced
History
<< Back
Posted Date:
24/01/2014 15:26:02
Severity:
Normal
Status:
Acknowledged
Posted Comments:
This molecule appears to have an invalid SMILES according to Daylight: http://apps.ideaconsult.net:8080/ambit2/depict?search=OC%28%3DO%29Cc1cc2nnnc2cc1&smarts= Defining one H on the Ns would fix it, e.g. OC(=O)Cc1cc2nn[nH]c2cc1 is consistent with the molecule pictured, see http://apps.ideaconsult.net:8080/ambit2/depict?search=OC%28%3DO%29Cc1cc2nn[nH]c2cc1&smarts=
Curated Date:
13/02/2014 15:27:45
Verdict:
As per previous comments, the SMILES have been regenerated and now appear valid.
Advertisement
Advertisement
Spotlight
Advertisement