FAQ
Stability Constants
Experimental Constants Calculated Constants Phreeqc Database Toolkit for Calculation
Speciation
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Step 1. Input a compound

The user has two options to input the structure of the molecule,

a) Draw it with the plugin from PubChem. While drawing, the plugin will generate a SMILES code for your structure. Once finished, just paste the SMILES code to the frame on the right. Remember to draw the point charge(s) explicitly, if your compound is cation/anion/zwitterion!)
b) Upload your own coordinates for the structure. Structures in xyz, pdb, sdf, and mol2 are supported.

NOTE: The SMILES code is a simplified version of chemical notation, and it does not handle proton well. If protons are important in your structure, you'd better upload your own coordinates in xyz format.

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