ISAXONINE PHOSPHATE

Search structure
Synonyms:
Status: Approved
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: S52Q6EHI7F

Structure
InChI Key CXEBHWXMQKIKPJ-UHFFFAOYSA-N
Smile CC(C)Nc1ncccn1.O=P(O)(O)O
InChI
InChI=1S/C7H11N3.H3O4P/c1-6(2)10-7-8-4-3-5-9-7;1-5(2,3)4/h3-6H,1-2H3,(H,8,9,10);(H3,1,2,3,4)

Physicochemical Descriptors

Property Name Value
Molecular Formula C7H14N3O4P
Molecular Weight 235.18
AlogP 1.3
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 2.0
Polar Surface Area 37.81
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 10.0

Cross References

Resources Reference
ChEMBL CHEMBL1697751
EPA CompTox DTXSID70215861
FDA SRS S52Q6EHI7F
PubChem 163093
SureChEMBL SCHEMBL4537710
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