N-(3-CHLOROBENZYL)-4,5-DIHYDROOXAZOL-2-AMINE

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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 SUWXHGUSSAAORJ-UHFFFAOYSA-N
Smiles Clc1cccc(CNC2=NCCO2)c1
InChI
InChI=1S/C10H11ClN2O/c11-9-3-1-2-8(6-9)7-13-10-12-4-5-14-10/h1-3,6H,4-5,7H2,(H,12,13)

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H11ClN2O
Molecular Weight 210.66
AlogP 2.34
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 3.0
Polar Surface Area 33.61
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 14.0

Cross References

Resources Reference
ChEMBL CHEMBL2286090
PubChem 76309132
CONTENTS