ChemistryCPU1 credits

Chemical Format Conversion

Convert between SMILES, InChI, InChIKey, and MOL

Convert between chemical representation formats: SMILES, InChI, InChIKey, and MOL/SDF. Essential for data integration across chemistry databases and tools.

$0.01

per API call

credits per call

/v1/chemistry/convert

API endpoint

Features

SMILES to/from InChI

SMILES to/from MOL/SDF

InChIKey generation

Canonical SMILES output

Structure validation

Sub-second response

Quick Start

RDKit — Python Examplepython

import requests

API_KEY = "sk-sci-your-key-here"
url = "https://scirouter.ai/v1/chemistry/convert"

response = requests.post(url, json={
    "smiles": "CC(=O)Oc1ccccc1C(=O)O",
    "output_format": "inchi"
}, headers={"Authorization": f"Bearer {API_KEY}"})

result = response.json()
print(f"InChI: {result['inchi']}")
print(f"InChIKey: {result['inchikey']}")