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Chelist Moleculee
cas:85-44-9
einecs:201-607-5
smiles:O=C1OC(=O)c2ccccc12
name:Phthalic anhydride
MW:148.1156
formula:C8H4O3
InChi:
InChiKey:
SMARTS:
Other names
Phthalic Anhydride
Phthalic anhydride
phthalic anhydride

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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

ECVAM 3T3NRU CITOTOXICITY (56): Reference chemicals used in the ECVAM validation study of the 3T3 NRU basal cytotoxicity assay to identify non-classified chemicals on the basis of the 2000 mg/kg b.w. threshold. (Method Validation)
NTP CYTOTOX (1353): Compound Cytotoxicity Profiling Using Quantitative High-Throughput Screening (International Research Projects)
TOXCAST PHASE II (535): US EPA ToxCast list - phase II (International Research Projects)
TOX21 LIST1 (8205): Tox21 Chemical Inventory for High-Throughput Screening (International Research Projects)
JRC HEPATOTOX (111): Hepatotox list (JRC Projects)
REACH REG (15811): Reach Registrations (Regulatory)
CTA Carcinogenicity (8): ECVAM prevalidation study on cell transformation assays for carcinogenicity (Method Validation)
REACH PRS (143835): ECHA list of pre-registered substances (Regulatory)
JRC Acute Systemic Toxicity (180): The use of computational and in vitro methods for acute systemic toxicity prediction (JRC Projects)
Skin Sensitisation (269): Skin Sensitisation Dataset (JRC Projects)