(+)-(R)-1-(4-BROMOPHENYL)-3-(1-PHENYLETHYL)UREA

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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 UGHPRDHLTTXFHF-LLVKDONJSA-N
Smiles C[C@@H](NC(=O)Nc1ccc(Br)cc1)c2ccccc2
InChI
InChI=1S/C15H15BrN2O/c1-11(12-5-3-2-4-6-12)17-15(19)18-14-9-7-13(16)8-10-14/h2-11H,1H3,(H2,17,18,19)/t11-/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C15H15BrN2O
Molecular Weight 319.2
AlogP 3.66
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 3.0
Polar Surface Area 41.13
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 19.0

Cross References

Resources Reference
ChEMBL CHEMBL2271534
PubChem 76323363
CONTENTS