---
title: "B015 Compound Physicochemical Properties"
method: GET
path: "/synapse/drug/compound-physicochemical-props"
tags: ["Chemical and Bio Data"]
---

# B015 Compound Physicochemical Properties

`GET /synapse/drug/compound-physicochemical-props`

## Request

- Base URL: `https://connect.patsnap.com`
- URL: `https://connect.patsnap.com/synapse/drug/compound-physicochemical-props`
- Auth: HTTP bearer
- TypeScript: <https://skmtc.dev/patsnap/apis/patsnap-open-platform-api/docs/synapse/drug/compound-physicochemical-props/get.ts> (a function with typed inputs; its response is checked against the schema)

Retrieve physicochemical properties of a single chemical structure (such as molecular weight, compound lipophilicity parameter, number of hydrogen bond donors, Topological Polar Surface Area (TPSA), isotopic mass, acidity/basicity, etc.) by inputting Structure ID, InChIKey, or SMILES (returns based on physicochemical properties displayed on the product side)

## Query parameters

- `inchi_key` string, required: Chemical Structure InChIKey

## Response `200`

Successful b015 compound physicochemical properties response.

- B015DrugCompoundPhysicochemicalPropsResponse
  - `data` B015DrugCompoundPhysicochemicalPropsDrugChemStructPropsResponse
    - `cbu` integer: Covalently-Bonded Unit Count
    - `das` integer: Defined Atom Stereocenter Count
    - `dbs` integer: Defined Bond Stereocenter Count
    - `hba` integer: Hydrogen Bond Acceptor Count
    - `hbd` integer: Hydrogen Bond Donor Count
    - `psa` number, double: Topological Polar Surface Area
    - `ro5` integer: Ro5 Violations (Lipinski)
    - `rtb` integer: Rotatable Bond Count
    - `uas` integer: Undefined Atom Stereocenter Count
    - `ubs` integer: Undefined Bond Stereocenter Count
    - `charge` integer: Formal Charge
    - `source` string: source
    - `xlogp3` number, double: LogP
    - `acd_logd` number, double: ACD LogD pH7.4
    - `acd_logp` number, double: ACD LogP
    - `complexity` number, double: Complexity
    - `exact_mass` number, double: Exact Mass
    - `heavy_atom` integer: Heavy Atom Count
    - `mol_weight` number, double: Molecular Weight
    - `source_url` string: source url
    - `mol_species` string: Molecular Species
    - `isotope_atom` integer: Isotope Atom Count
    - `chemical_toxnets` B015DrugCompoundPhysicochemicalPropsChemicalToxnet[]: Chemical Toxnet
      - `bp` unknown[]: Boiling Point
        - unknown
      - `mp` unknown[]: Melting Point
        - unknown
      - `ctp` unknown[]: Critical Temperature and Pressure
        - unknown
      - `den` unknown[]: Density/Specific Gravity
        - unknown
      - `dsc` unknown[]: Dissociation Constants
        - unknown
      - `htc` unknown[]: Heat of Combustion
        - unknown
      - `htv` unknown[]: Heat of Vaporization
        - unknown
      - `sol` unknown[]: Solubilities
        - unknown
      - `vap` unknown[]: Vapor Pressure
        - unknown
      - `cofo` unknown[]: Color/Form
        - unknown
      - `fpot` unknown[]: Fire Potential
        - unknown
      - `name` string: name
      - `ocpp` unknown[]: Other Chemical/Physical Properties
        - unknown
      - `owpc` unknown[]: Octanol/Water Partition Coefficient
        - unknown
      - `spec` unknown[]: Spectral Properties
        - unknown
      - `surf` unknown[]: Surface Tension
        - unknown
      - `tast` unknown[]: Taste
        - unknown
      - `vapd` unknown[]: Vapor Density
        - unknown
      - `visc` unknown[]: Viscosity
        - unknown
    - `monoisotopic_mass` number, double: Mononisotopic Mass
  - `status` boolean, required: Status
  - `error_msg` string: Error Message
  - `error_code` integer, required: Error Code

## Other responses

- `401`: Unauthorized.
- `403`: Forbidden.
- `404`: Not Found.

---

[API](https://skmtc.dev/patsnap/apis/patsnap-open-platform-api.md) - [All operations](https://skmtc.dev/patsnap/apis/patsnap-open-platform-api/llms.txt) - [OpenAPI document](https://skmtc.dev/patsnap/apis/patsnap-open-platform-api/revisions/c2264a0de595?raw)