jc_logp error ORA-06502: PL/SQL: numeric or value error:

When I call jc_logp to calculate logp. I get the following error:





SQL> select jc_logp(smiles) from cis_chemstruct where cis_id = 'CIS010063';


select jc_logp(smiles) from cis_chemstruct where cis_id = 'CIS010063'


*


ERROR at line 1:


ORA-06502: PL/SQL: numeric or value error: character to number conversion error


ORA-06512: at "CIS.LOGP_FUNC", line 37





We are running JChem 3.1.1 on Tomcat 5.5.9 with Oracle 9i (9.2.0.4) on Solaris 9. We have are licensed for both logp and logd. The license.dat in the [user]/.chemaxon directory has the entries for the two plugins.

Please, could you try and use the jc_evaluate function instead of jc_logp:

Code:

select jc_evaluate(smiles, 'logp()') from cis_chemstruct where cis_id = 'CIS010063';

Does this produce the same error?

That worked for logp but what about logd. I tried jc_evaluate(smiles,'logd(7.4)') but did not work. I think I may have the syntax wrong.

Please, put the pH value in double quotes (the expression itself also accepts single quotes, but double quotes are easier to work with in SQL VARCHARs):





jc_evaluate(smiles,'logd("7.4")')





The syntax of available chemical terms functions is described here:





http://www.jchem.com/doc/user/EvaluatorTables.html





and more specifically the logd function is described here:





http://www.jchem.com/doc/user/EvaluatorTables.html#logdex