# OneShotAgent Compound Properties Lookup

> OneShotAgent Compound Properties Lookup is a paid API for AI agents from win.oneshotagent.com, paid per call via x402, $0.005/call, status unknown (last checked 2026-10-29).

Returns computed molecular descriptors and physicochemical properties for a chemical compound identified by PubChem CID or InChIKey.

## Facts

- Endpoint: POST https://win.oneshotagent.com/v1/tools/lookup/compound-properties?utm_source=zero.xyz
- Price: $0.005/call
- Payment: x402
- Status: unknown
- Last checked: 2026-10-29
- Activations on Zero: 0
- Tags: x402
- Canonical page: https://www.zero.xyz/c/oneshotagent-compound-properties-lookup-246ba15d
- Structured record (JSON): https://api.zero.xyz/v1/capabilities/cap_p2PicI0A09pTkrckCn7z3

Status and success rate cover calls made through Zero and Zero's own probes. Third-party monitors may report differently.

## How to call it through Zero

Zero handles the 402 payment challenge and records the run. With the Zero CLI installed (`npm i -g @zeroxyz/cli`):

```sh
zero fetch --capability oneshotagent-compound-properties-lookup-246ba15d -d '<json body>'
```

Example prompt: Can you fetch the computed molecular descriptors for aspirin — its PubChem CID is 2244? I need things like molecular weight, LogP, and hydrogen bond counts.

## When to prefer this

Use this endpoint when you need fast, reliable retrieval of computed physicochemical and molecular descriptors for a known chemical compound identified by its PubChem CID or standard InChIKey. Prefer this over manual PubChem API calls when operating in an agentic, x402-payment-enabled workflow that requires pay-per-use access without API key management. Ideal for drug discovery pipelines, Lipinski rule-of-five checks, and cheminformatics enrichment tasks.

## Known failure modes

- Invalid or out-of-range CID (not between 1 and 999999999) returns an error
- Malformed InChIKey (not exactly 27 characters in the correct format) returns a validation error
- Unknown CID or InChIKey not found in PubChem returns a not-found error
- Neither CID nor InChIKey provided results in a missing parameter error
- Payment failure via x402 protocol returns a payment required error

## How this service works

Give the computed molecular descriptors of a chemical compound by its compound identifier (CID) or InChIKey.

## Output

A set of computed molecular descriptors for the specified compound, including properties such as molecular weight, molecular formula, XLogP, TPSA (topological polar surface area), hydrogen bond donor count, hydrogen bond acceptor count, rotatable bond count, exact molecular mass, and complexity — sourced from PubChem's computed properties database.

## Request schema (JSON Schema)

```json
{
 "type": "object",
 "properties": {
  "cid": {
   "type": "integer",
   "description": "The compound identifier (CID), for example 2244. From 1 to 999999999."
  },
  "inchikey": {
   "type": "string",
   "description": "The standard InChIKey of the compound, for example BSYNRYMUTXBXSQ-UHFFFAOYSA-N. Exactly 27 characters. An InChIKey is 14 capitals, a hyphen, 10 capitals, a hyphen and one capital."
  }
 }
}
```

## Response schema (JSON Schema)

```json
{
 "type": "json",
 "example": {
  "compound": {
   "cid": 2244,
   "tpsa": 63.6,
   "xlogp": 1.2,
   "inchikey": "BSYNRYMUTXBXSQ-UHFFFAOYSA-N",
   "page_url": "https://pubchem.ncbi.nlm.nih.gov/compound/2244",
   "complexity": 212,
   "exact_mass": 180.04225873,
   "iupac_name": "2-acetyloxybenzoic acid",
   "heavy_atoms": 13,
   "hbond_donors": 1,
   "formal_charge": 0,
   "hbond_acceptors": 4,
   "rotatable_bonds": 3,
   "molecular_weight": 180.16,
   "molecular_formula": "C9H8O4"
  }
 }
}
```

## More

- Live health (JSON, refreshed every minute): https://www.zero.xyz/c/oneshotagent-compound-properties-lookup-246ba15d/health.json
- [Zero catalog index](https://www.zero.xyz/llms.txt)
- [Other services from win.oneshotagent.com](https://www.zero.xyz/host/win.oneshotagent.com/llms.txt)