Group-Contribution Properties

Estimate Joback critical constants, Ambrose ω, ideal-gas thermo, and RDKit Crippen LogP/MR from SMILES. Optionally add a NASA-7 / Cantera snippet.

Examples

Molecules

Paste SMILES strings, one per line, or upload a .smi / .txt file. Failed fragmentations stay as error rows in properties.csv; the job still succeeds.