(R)-O-BENZYL-N-2-HYDROXY-1-METHYL ETHYL CARBAMATE

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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 AFPHMHSLDRPUSM-SECBINFHSA-N
Smiles C[C@H](CO)NC(=O)OCc1ccccc1
InChI
InChI=1S/C11H15NO3/c1-9(7-13)12-11(14)15-8-10-5-3-2-4-6-10/h2-6,9,13H,7-8H2,1H3,(H,12,14)/t9-/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C11H15NO3
Molecular Weight 209.24
AlogP 1.44
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 5.0
Polar Surface Area 58.56
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 15.0

Cross References

Resources Reference
ChEMBL CHEMBL2259793
PubChem 6951254
SureChEMBL SCHEMBL398460
ZINC ZINC00403977
CONTENTS