N'-ETHOXY-N-PHENYLFORMIMIDAMIDE

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Molecule Category Free-form
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 ...

Structure

InChI Key LMTFDHWCPOJQGE-UHFFFAOYSA-N
Smiles CCO\N=C\Nc1ccccc1
InChI
InChI=1S/C9H12N2O/c1-2-12-11-8-10-9-6-4-3-5-7-9/h3-8H,2H2,1H3,(H,10,11)

Physicochemical Descriptors

Property Name Value
Molecular Formula C9H12N2O
Molecular Weight 164.2
AlogP 1.33
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 4.0
Polar Surface Area 33.62
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 12.0

Cross References

Resources Reference
ChEMBL CHEMBL2286548
PubChem 176806
SureChEMBL SCHEMBL7399654
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