Upload a Structure

Please follow the following steps to upload a file containing a mol (MDL) file of the structure you wish to compute estimates for. If you are using this facility for the first time, please read the notes provided below.

Notes

• The estimation program currently ignores user specified valences and hydrogen counts for an atom; the number of attached hydrogens are computed based on bond types and calculated valences.
• This facility will not work on browsers that cannot upload structures to our server.
• Mention of companies or their products by NIST does not constitute endorsement or indicate that any such products are the most suitable for the task at hand.
• Any structures submitted will be cached on our server for a period that should not exceed 48 hours.