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furfural

Identification (Source:EPA,EU)

ID	724
Name	furfural
CAS	98-01-1
IUPAC
Inchi	InChI=1S/C5H4O2/c6-4-5-2-1-3-7-5/h1-4H
CIPAC	None allocated
EPA Code	043301
Formula	C5H4O2
SMILES	O=Cc1ccco1
Status	Not Approved

Classification

Mode of Action	Fumigant, inhibits fungal and bacterial growth
Pesticide Type	Fungicide, Biocide, Nematicide
Chemical Group	Unclassified
Classification	unclassified fungicides unclassified nematicides

Properties (Source:PubChem)

Molecular Weight	96.08
Physical State	Colourless to yellow liquid
AlogP	0.984
H-Bond Donor	0
H-Bond Acceptor	1
Surface Area	97.94
Polar Surface Area	30.21

Structure

Ecotoxicology (Source:PPDB,IPM)

Species	Method	Study Time	Dose Type	Value
Aquatic crustaceans	Acute	96 hour	LC50	7.94 mg l-1
Aquatic invertebrates	Acute	48 hour	EC50	20.4 mg l-1
Birds	Acute		LD50	360.5 mg kg-1
Fish	Acute	96 hour	LC50	3.06 mg l-1
Mammals	Acute oral		LD50	65 mg kg-1

Related targets

Target Name	RScore (About this table)
alcohol dehydrogenase (protein family or complex)	276(3,4,4,6)	Details
hemoglobin (protein family or complex)	182(2,2,2,22)	Details
aldehyde dehydrogenase (protein family or complex)	164(2,2,2,4)	Details
terminal deoxynucleotidyltransferase	112(1,2,2,2)	Details
pyruvate dehydrogenase (protein family or complex)	112(1,2,2,2)	Details
alcohol dehydrogenase 6	92(1,1,1,12)	Details
beta glucosidase	90(1,1,1,10)	Details
pol lambda	85(1,1,1,5)	Details
arginase	81(1,1,1,1)	Details
cytochrome P450 (protein family or complex)	81(1,1,1,1)	Details
H Factor	39(0,1,2,4)	Details
Tyrosinase	38(0,1,2,3)	Details
hypoxanthine guanine phosphoribosyltransferase	32(0,1,1,2)	Details
glucose 6 phosphatase	32(0,1,1,2)	Details
thymidine kinase	31(0,1,1,1)	Details
alkaline phosphatases	31(0,1,1,1)	Details
lipase	31(0,1,1,1)	Details
SP A	31(0,1,1,1)	Details

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