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Sample Datafile
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Deep Data Delivery Services by ChemEssen
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This file is to provide an example of a datafile to be delivered under the assumption that the presented datasets are ordered for the chemical compounds presented in this file. 9 datasets for the 10 compounds are presented as an example. Click the Code# tab located at the bottom to view the sample datasets.
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More than 2,100 datasets for over 4 million compounds are available as of October 2022 in addition to the samples presented in this datafile. The full list of the deep datasets and outline of the available chemical compounds are available for your review.
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View Complete List of Deep Datasets Page…
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View Outline of Deep Data Compounds…
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For more information on how these data are determined, please have a look at the technology description.
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View Technology Description Page…
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Sample Dataset:
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1
Critical Pressure (Code #: PC4)
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Normal Boiling Point (Code #: PC22)
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Liquid Density (Code #: PT4)
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Vapor Pressure (Code #: PT9)
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Water Solubility (LogS; Code #: PP10)
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Total Energy (Code #: QC13)
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HOMO-LUMO Energy Gap (Code #: QD7)
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Ghose-Crippen Molar Refractivity (Code #: MMP3)
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Gravitational Index (Code #: MGD19)
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Sample Chemical Compounds (Click to view the structure):
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1Pentane
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(2R)-pentan-2-ol
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1,2-dihydroacenaphthylene
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4Furan
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N,N-dimethylformamide
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Nitrobenzene
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Decahydronaphthalene
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1-phenylethan-1-one
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(E)-1,2-dichloroethene
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Chlorobenzene
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