Molecule Category | Free-form |
UNII | 845XW54F31 |
Source | Gaulton A, Kale N, van Westen GJ, Bellis LJ, Bento AP, Davies M, Hersey A, Papadatos G, Forster M, Wege P, Overington JP. A large-scale crop protection bioassay data set. Sci Data. 2015 Jul 7;2:150032. Read more ... |
InChI Key | MGNFYQILYYYUBS-UHFFFAOYSA-N | |
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Smiles | ||
InChI |
|
Property Name | Value | |
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Molecular Formula | C19H31N | |
Molecular Weight | 273.46 | |
AlogP | 5.32 | |
Hydrogen Bond Acceptor | 1.0 | |
Hydrogen Bond Donor | 0.0 | |
Number of Rotational Bond | 5.0 | |
Polar Surface Area | 3.24 | |
Molecular species | BASE | |
Aromatic Rings | 1.0 | |
Heavy Atoms | 20.0 |
Resources | Reference | |
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ChEMBL | CHEMBL1889041 | |
FDA SRS | 845XW54F31 | |
SureChEMBL | SCHEMBL21278 |