Chemical Identifier Search

Advertisements

Systematic Name, Synonym, Trade Name,
Registry Number, SMILES, InChI or CSID

Information

Options

Single/Multi-component Search Any Search Single-Component Structures Only Search Multi-Component Structures Only	Isotopically Labeled Search Any Search Isotopically Labeled Structures Only Disregard Isotopically Labeled Structures
Additional Filters Filter only those having spectra associated Filter only those having patents link	Search Hits Limit

74 hits found in 0.13 seconds.
Search terms: C6H4N2O3

Found by empirical formula

GridTileTableRecordChemReferEntrezPubChem

1

ID

Structure

Empirical Formula

Molecular Weight

Monoisotopic Mass, Da

LogP

ACD/LogD (pH 5.5)

ACD/LogD (pH 7.4)

InChI=1/C6H4N2O3/c9-7-5-2-1-3-6(4-5)8(10)11/h1-4H

C₆H₄N₂O₃

152.1076

152.022192

ACD/LogP:	1.92
XLogP:	1.50

1.92

1.92

InChI=1/C6H4N2O3/c7-3-1-5(9)11-6(10)2-4-8/h1-2H2

C₆H₄N₂O₃

152.1076

152.022192

ACD/LogP:	-1.53
XLogP:	0.50
ALOGPS:	0.04

-5.03

-5.03

InChI=1/C6H4N2O3/c9-7-5-3-1-2-4-6(5)8(10)11-7/h1-4H

C₆H₄N₂O₃

152.1076

152.022192

InChI=1/C6H4N2O3/c9-5-4-2-1-3-7-8(4)6(10)11-5/h1-4H

C₆H₄N₂O₃

152.1076

152.022192

ACD/LogP:	-0.75
XLogP:	-0.10

InChI=1/C6H4N2O3/c9-4-5-6(8(10)11)2-1-3-7-5/h1-4H

C₆H₄N₂O₃

152.1076

152.022192

ACD/LogP:	0.65
XLogP:	0.40

InChI=1/C6H4N2O3/c9-7-5-3-1-2-4-6(5)8(10)11/h1-4H

C₆H₄N₂O₃

152.1076

152.022192

ACD/LogP:	2.55
XLogP:	1.50

InChI=1/C6H4N2O3/c9-6-8-7-5(11-6)4-2-1-3-10-4/h1-3H,(H,8,9)

C₆H₄N₂O₃

152.1076

152.022192

ACD/LogP:	-0.30
XLogP:	1.00

InChI=1/C6H4N2O3/c9-3-1-4-6(5(10)2-3)8-11-7-4/h1-2,7,10H

C₆H₄N₂O₃

152.1076

152.022192

ACD/LogP:

0.28

-0.76

-2.52

InChI=1/C6H4N2O3/c9-7-5-1-3-6(4-2-5)8(10)11/h1-4H

C₆H₄N₂O₃

152.1076

152.022192

ACD/LogP:	2.39
XLogP:	1.50

2.39

2.39

InChI=1/C6H4N2O3/c9-5-6(10)8-4-2-11-1-3(4)7-5/h1-2H,(H,7,9)(H,8,10)

C₆H₄N₂O₃

152.1076

152.022192

ACD/LogP:	-0.64
XLogP:	-0.70

InChI=1/C6H4N2O3/c9-4-5-1-2-7-3-6(5)8(10)11/h1-4H

C₆H₄N₂O₃

152.1076

152.022192

ACD/LogP:	0.64
XLogP:	0.40

0.64

0.64

InChI=1/C6H4N2O3/c9-5-3-1-2-4-6(5)8(10)11-7-4/h1-3,7H

C₆H₄N₂O₃

152.1076

152.022192

ACD/LogP:

0.36

InChI=1/C6H4N2O3/c9-4-2-1-3-5(6(4)10)8-11-7-3/h1-2,7-8H

C₆H₄N₂O₃

152.1076

152.022192

ACD/LogP:

-0.87

-0.87

-0.87

InChI=1/C6H4N2O3/c9-4-1-2-6-5(3-4)7-11-8(6)10/h1-3,7H

C₆H₄N₂O₃

152.1076

152.022192

ACD/LogP:

1.12

1.12

1.12

InChI=1/C6H4N2O3/c9-6-2-1-3-7-4-5(6)8(10)11/h1-4H

C₆H₄N₂O₃

152.1076

152.022192

ACD/LogP:	-0.28
XLogP:	-0.20

-0.28

-0.28

InChI=1/C6H4N2O3/c9-6-2-4-7-3-1-5(6)8(10)11/h1-2,4,9H

C₆H₄N₂O₃

152.1076

152.022192

XLogP:

2.80

InChI=1/C6H4N2O3/c9-6-2-4-7-3-1-5(6)8(10)11/h1-4H

C₆H₄N₂O₃

152.1076

152.022192

ACD/LogP:	-0.28
XLogP:	-0.20

-0.28

-0.28

InChI=1/C6H4N2O3/c9-6-2-1-3-7-4-5(6)8(10)11/h1-2,4,9H

C₆H₄N₂O₃

152.1076

152.022192

ACD/LogP:	-0.08
XLogP:	2.80

InChI=1/C6H4N2O3/c9-5-4-3(1-2-11-4)7-6(10)8-5/h1-2H,(H2,7,8,9,10)

C₆H₄N₂O₃

152.1076

152.022192

ACD/LogP:	-0.29
XLogP:	-0.50

InChI=1/C6H4N2O3/c9-5-3-1-11-2-4(3)7-6(10)8-5/h1-2H,(H2,7,8,9,10)

C₆H₄N₂O₃

152.1076

152.022192

XLogP:

-0.60

1

Royal Society of Chemistry