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Chelist Moleculee
cas:100-02-7
einecs:202-811-7
smiles:Oc1ccc(cc1)[N+](=O)[O-]
name:p-Nitrophenol
MW:139.1088
formula:C6H5NO3
InChi:
InChiKey:
SMARTS:
Other names
Phenol, 4-Nitro-
4-Nitrophenol
4-nitrophenol

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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

TOX21 LIST1 (8205): Tox21 Chemical Inventory for High-Throughput Screening (International Research Projects)
EDC SIN List 2.0 (22): Substitute It Now List 2.0 (NGO)
DGENV EAS (490): DG ENV EDS Database (EU Research Projects)
In vitro genotoxicity (72): Updated recommended lists of genotoxic and non-genotoxic chemicals for assessment of the performance of new or improved genotoxicity tests (Method Validation)
REACH PRS (143835): ECHA list of pre-registered substances (Regulatory)
REACH REG (15811): Reach Registrations (Regulatory)