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

Information

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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
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4 hits found in 0.08 seconds.
Search terms: YAPQBXQYLJRXSA
Found by InChIKey (skeleton match)

GridTileTableRecordChemReferEntrezPubChem

ID

Structure

Empirical Formula

Molecular Weight

Monoisotopic Mass, Da

LogP

ACD/LogD (pH 5.5)

ACD/LogD (pH 7.4)

InChI=1/C7H8N4O2/c1-10-3-8-5-4(10)6(12)9-7(13)11(5)2/h3H,1-2H3,(H,9,12,13)

C₇H₈N₄O₂

180.164

180.064726

ACD/LogP:	-0.72
XLogP:	-0.60
ALOGPS:	-0.46

-0.72

-0.72

InChI=1/C7H8N4O2/c1-10-3-8-5-4(10)6(12)9-7(13)11(5)2/h3H,1-2H3,(H,9,12,13)/p-1

C₇H₇N₄O₂

179.1566

179.057449

ACD/LogP:

-2.08

InChI=1/C7H8N4O2/c1-10-3-8-5-4(10)6(12)9-7(13)11(5)2/h3H,1-2H3,(H,9,12,13)/i1+1,2+1

C₅¹³C₂H₈N₄O₂

182.1493

182.071435

XLogP:

-0.60

InChI=1/C7H8N4O2/c1-10-3-8-5-4(10)6(12)9-7(13)11(5)2/h3H,1-2H3,(H,9,12,13)/i1D3

C₇H₅D₃N₄O₂

183.1825

183.083556