(+)-(R)-1-(3-IODOPHENYL)-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 NYLFUIJBUYBDPK-LLVKDONJSA-N
Smiles C[C@@H](NC(=O)Nc1cccc(I)c1)c2ccccc2
InChI
InChI=1S/C15H15IN2O/c1-11(12-6-3-2-4-7-12)17-15(19)18-14-9-5-8-13(16)10-14/h2-11H,1H3,(H2,17,18,19)/t11-/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C15H15IN2O
Molecular Weight 366.2
AlogP 3.49
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 CHEMBL2271538
PubChem 76323364
CONTENTS