Chelist Moleculee
JRC CODE:JRC-001094
cas:69-72-7
einecs:200-712-3
smiles:OC(=O)c1ccccc1O
name:Salicylic Acid
MW:138.1207
formula:C7H6O3
InChi:
InChiKey:
SMARTS:

Search by similarity
Tanimoto index:
The algorithm applies nearest neighbor searching that finds molecules similar to the query object. The calculation applies the Tanimoto (or Jaccard) coefficient that is calculated by the following formula in the case of binary fingerprint (bit string) input: T(A,B) = NA&B/(NA+NB-NA&B) where NA and NB are the number of bits set in the bit strings of molecules A and B, respectively, NA&B is the number of bits that are set in both.

Inventory List where this chemical is present

TOX21 LIST1 (8205): Tox21 Chemical Inventory for High-Throughput Screening (International Research Projects)
REACH PRS (143835): ECHA list of pre-registered substances (Regulatory)
FP6 ReProTect (133): Test chemicals used for the development of in vitro tests within the FP6 project .ReProTect (EU Research Projects)
REACH REG (14803): Reach Registrations (Regulatory)
ECVAM COSEU SKIN SENSITIZATION (16): Chemicals for the Development and Evaluation of In Vitro Methods for Skin Sensitisation Testing (Method Validation)
ECVAMes_Positives List (723): ECVAM Ames Positives List: EURL ECVAM Genotoxicity and Carcinogenicity Database of Ames Positive Chemicals (JRC Projects)