quyingding

Identification (Source:EPA,EU)

ID 1317
Name quyingding
CAS 136-45-8
IUPAC
Inchi InChI=1S/C13H17NO4/c1-3-7-17-12(15)10-5-6-11(14-9-10)13(16)18-8-4-2/h5-6,9H,3-4,7-8H2,1-2H3
CIPAC
EPA Code
Formula C13H17NO4
SMILES O(C(c(c([H])n1)c([H])c([H])c1C(=O)OC([H])([H])C([H])([H])C([H])([H])[H])=O)C([H])([H])C([H])([H])C([H])([H])[H]
Status Not Available

Classification

Mode of Action
Pesticide Type
Chemical Group
Classification Insect repellents

Properties (Source:PubChem)

Molecular Weight 251.27837
Physical State
AlogP 2.563
H-Bond Donor 0
H-Bond Acceptor 5
Surface Area 263.1
Polar Surface Area 65.49

Structure



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3D similarity method

2D similarity method

Compound Database



Bioactivity Database

KEGG (5,928)

PDB (7,072)


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