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

/static/temp/default.svg Search structure
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 WPOFMMJJCPZPAO-MRXNPFEDSA-N
Smiles OC[C@@H](Cc1ccccc1)NC(=O)OCc2ccccc2
InChI
InChI=1S/C17H19NO3/c19-12-16(11-14-7-3-1-4-8-14)18-17(20)21-13-15-9-5-2-6-10-15/h1-10,16,19H,11-13H2,(H,18,20)/t16-/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C17H19NO3
Molecular Weight 285.34
AlogP 2.99
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 7.0
Polar Surface Area 58.56
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 21.0

Cross References

Resources Reference
ChEMBL CHEMBL164463
PubChem 736170
SureChEMBL SCHEMBL2482903
ZINC ZINC00155961
CONTENTS