ChemistryCPU1 credits

Molecular Properties — RDKit

Calculate LogP, MW, TPSA, and more from SMILES

Calculate molecular properties from SMILES strings using RDKit. Get molecular weight, LogP, TPSA, rotatable bonds, hydrogen bond donors/acceptors, and Lipinski rule-of-five compliance in one API call.

$0.01

per API call

credits per call

/v1/chemistry/properties

API endpoint

Features

Molecular weight, LogP, TPSA calculation

Hydrogen bond donors and acceptors

Rotatable bond count

Lipinski rule-of-five check

Sub-second response time (P50: 653ms)

Batch endpoint for multiple molecules

Quick Start

RDKit — Python Examplepython

import requests

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

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

props = response.json()
print(f"Molecular Weight: {props['molecular_weight']:.2f}")
print(f"LogP: {props['logp']:.2f}")
print(f"TPSA: {props['tpsa']:.2f}")
print(f"Lipinski compliant: {props['lipinski_pass']}")